염화 티오닐

Thionyl Chloride

HCID 24386CAS 7719-09-7

기본 정보

표준 SMILES
O=S(Cl)Cl
InChIKey
FYSNRJHAOHDILO-UHFFFAOYSA-N
분자식
Cl2OS
평균 분자량
118.97 g/mol
단동위원소 질량
117.9046912

이름 및 식별자

우선 이름
Thionyl Chloride
IUPAC
thionyl dichloride
현지명
염화 티오닐
영어명
Thionyl chloride
분자식
Cl2OS
분자량
118.97

이름 및 동의어

THIONYL CHLORIDEThionyl dichloride7719-09-7Sulfinyl chlorideSulfurous dichlorideSulfurous oxychlorideSulfinyl dichlorideSulfur oxychlorideSulfur chloride oxideSulfur chloride oxide (Cl2SO)4A8YJA13N4DTXSID3064778
이름 더 보기
염화티오닐염화술피닐염화싸이오닐(염화티오닐)티오닐클로라이드염화티오닐염화 티오닐설퍼 클로라이드 옥사이드설포러스 다이클로라이드설포러스 옥시클로라이드설피닐클로라이드티오닐 다이클로라이드ThionyLThionylchloridSulfoxidechlorideTHIONYL CHLORIDEGC STANDARD
CHEBI:29290RefChem:6303DTXCID0047953231-748-8682-671-5ThionylchlorideSOCl2MFCD00011449

데이터베이스 식별자

CAS
7719-09-7
PubChem CID
24386
DTXSID
DTXSID3064778
ChEBI
CHEBI:29290
UNII
4A8YJA13N4
EC Number
231-748-8、682-671-5
Nikkaji
J3.752D

물성

구조 계산 물성

XLogP
1.5
극성 표면적
36.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
4

실험 및 물리화학적 성질

Odor · 2건

Suffocating odor

Pungent odor like sulfur dioxide.

Density · 6건

1.64 (NIOSH, 2024) - Denser than water; will sink

1.676 at 0 °C/4 °C; 1.655 at 10 °C/4 °C; 1.638 at 20 °C/4 °C

Percent in saturated air: 14.5 at 26 °C; density of saturated air: 1.5 at 26 °C (air= 1); 1 mg/cu m is equiv to 0.2 ppm and 1 ppm is equiv to 4.87 mg/cu m at 25 °C, 760 mm Hg

Relative density (water = 1): 1.64

1.64

1.640 @ 15.5°C

Color/Form · 4건

Colorless to pale yellow or reddish liquid

Pale yellow to red liquid

Colorless to pale yellow, fuming, refractive liquid

Colorless to yellow to reddish liquid [Note: Fumes form when exposed to moist air]

Solubility · 6건

Reacts with water (NIOSH, 2024)

Decomposes (fumes) in water

Decomp in acids, alc, alkalies; in cold and hot water

Miscible with benzene, chloroform, carbon tetrachloride

Solubility in water: reaction

Reacts

Boiling Point · 6건

169 °F at 760 mmHg (NIOSH, 2024)

76 °C at 760 mm Hg

76 °C

169 °F

78.8 °C @760 [mm Hg]

169 °F

Decomposition · 4건

Hazardous decomposition products formed under fire conditions - Sulfur oxides, hydrogen chloride gas.

When heated to decomposition it emits toxic fumes of /sulfur oxides and chloride/.

Decomposes when heated above 140 °C forming chlorine, sulfur dioxide, and disulfur dichloride ...

Decomposition begins at 284 °F (140 °C). Decomposition by-products include chlorine, hydrogen chloride, oxides of sulfur, and other irritants.

물리화학적 성질

녹는점
-105 °C · -105 °C
끓는 점
79 °C · 79 °C(lit.)
밀도
1.64 g/mL · 1.64 g/mL at 20 °C
증기 밀도
4.1 · 4.1 (vs air)
증기압
97 mm · 97 mm Hg ( 20 °C)
굴절률
20 · n20/D 1.518(lit.)

화학적 성질

Thionyl chloride is a pale yellow to reddish liquid. Suffocating odor like sulfur dioxide. Fumes form when exposed to moist air.

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral];H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H332: Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Danger

유해성 정보

Hazards IdentificationWater-reactive material (WR);Toxic/poison by inhalation (TIH/PIH)
Regulatory Information · 4건

Chemical: Thionyl chloride

Status: Active Update: 15-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13923;Status: Active Update: 27-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7509;Status: Active Update: 10-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16309;Status: Active Update: 27-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7525

Thionyl chloride: HSNO Approval: HSR003088 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Thionyl chloride: Environment tier I assessment;IMAP assessments - Thionyl chloride: Human health tier I assessment
DOT LabelCorrosive
Fire Hazards · 3건

Excerpt from ERG Guide 137 [Substances - Water-Reactive - Corrosive]:;EXCEPT FOR ACETIC ANHYDRIDE (UN1715), THAT IS FLAMMABLE, some of these materials may burn, but none ignite readily. May ignite combustibles (wood, paper, oil, clothing, etc.). Substance will react with water (some violently), releasing corrosive and/or toxic gases and runoff. Flammable/toxic gases may accumulate in confined areas (basement, tanks, hopper/tank cars, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water. Substance may be transported in a molten form. (ERG, 2024)

· EXCEPT FOR ACETIC ANHYDRIDE (UN1715), THAT IS FLAMMABLE, some of these materials may burn, but none ignite readily.;· May ignite combustibles (wood, paper, oil, clothing, etc.).;· Substance will react with water (some violently), releasing corrosive and/or toxic gases and runoff.;· Flammable/toxic gases may accumulate in confined areas (basement, tanks, hopper/tank cars, etc.).;· Contact with metals may evolve flammable hydrogen gas.;· Containers may explode when heated or if contaminated with water.;· Substance may be transported in a molten form.

Not combustible. Many reactions may cause fire or explosion. Gives off irritating or toxic fumes (or gases) in a fire.

Fire Potential · 2건

This chemical is a noncombustible liquid.

Not combustible, but closed containers may rupture violently when heated.

안전 및 보호

Fire Fighting · 2건

Excerpt from ERG Guide 137 [Substances - Water-Reactive - Corrosive]:;When material is not involved in fire, do not use water on material itself.;SMALL FIRE: Dry chemical or CO2. If it can be done safely, move undamaged containers away from the area around the fire.;LARGE FIRE: Flood fire area with large quantities of water, while knocking down vapors with water fog. If insufficient water supply, responders should withdraw.;FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Cool containers with flooding quantities of water until well after fire is out. Do not get water inside containers. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. (ERG, 2024)

In case of fire in the surroundings, use appropriate extinguishing media. NO water. In case of fire: keep drums, etc., cool by spraying with water. NO direct contact with water.

First Aid Measures · 4건

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.;· Keep unauthorized personnel away.;· Stay upwind, uphill and/or upstream.;· Ventilate closed spaces before entering, but only if properly trained and equipped.

· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.;· Stop leak if you can do it without risk.;· Use water spray to reduce vapors; do not put water directly on leak, spill area or inside container.;· Keep combustibles (wood, paper, oil, etc.) away from spilled material.;Small Spill;· Cover with DRY earth, DRY sand or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain.;· Use clean, non-sparking tools to collect material and place it into loosely covered plastic containers for later disposal.;· Prevent entry into waterways, sewers, basements or confined areas.

First Aid · 3건

Excerpt from NIOSH Pocket Guide for Thionyl chloride:;Eye: IRRIGATE IMMEDIATELY - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.;Skin: WATER FLUSH IMMEDIATELY - If this chemical contacts the skin, immediately flush the contaminated skin with water. If this chemical penetrates the clothing, immediately remove the clothing and flush the skin with water. Get medical attention promptly.;Breathing: RESPIRATORY SUPPORT - If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. If breathing has stopped, perform artificial respiration. Keep the affected person warm and at rest. Get medical attention as soon as possible.;Swallow: MEDICAL ATTENTION IMMEDIATELY - If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2024)

General First Aid:;· Call 911 or emergency medical service.;· Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.;· Move victim to fresh air if it can be done safely.;· Administer oxygen if breathing is difficult.;· If victim is not breathing:;-- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.;-- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).;-- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.;· Remove and isolate contaminated clothing and shoes.;· For minor skin contact, avoid spreading material on unaffected skin.;· In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.;· For severe burns, immediate medical attention is required.;· Effects of exposure (inhalation, ingestion, or skin contact) to substance may be delayed.;· Keep victim calm and warm.;· Keep victim under observation.;· For further assistance, contact your local Poison Control Center.;· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.;Specific First Aid:;· For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required.

(General first aid procedures);Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.;Skin: Water flush immediately - If this chemical contacts the skin, immediately flush the contaminated skin with water. If this chemical penetrates the clothing, immediately remove the clothing and flush the skin with water. Get medical attention promptly.;Breathing: Respiratory support;Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.

Safe StorageVentilation along the floor. Separated from food and feedstuffs. See Chemical Dangers. Dry. Well closed.
Firefighting Hazards · 3건

Container explosion may occur under fire conditions.

... Interaction with water violently decomposes the /thionyl/ chloride to hydrogen chloride (2 mol) and sulfur dioxide (1 mol), the total expansion ratio from liquid to gas being 993:1 at 20 °C, so very high pressures may be generated.

... Closed containers may rupture violently when heated.

독성 정보

Target OrgansEyes, skin, respiratory system
Environmental Fate · 3건

TERRESTRIAL FATE: Thionyl chloride reacts rapidly and violently with water, water vapor or moisture to form sulfur dioxide and hydrogen chloride(1). Therefore, soil adsorption, volitilization, and biodegradation in soil are not expected to be environmental fate processes(SRC).

AQUATIC FATE: Thionyl chloride reacts rapidly and violently with water, water vapor or moisture to form sulfur dioxide and hydrogen chloride(1). Therefore, sediment adsorprion, volitilization, bioconcentration, and biodegradation in water are not expected to be environmental fate processes(SRC).

TERRESTRIAL FATE: Thionyl chloride reacts rapidly and violently with water, water vapor or moisture to form sulfur dioxide and hydrogen chloride(1). Therefore, reaction with hyrdroxyl radicals is not expected to be an environmental fate process(SRC).

Adverse Effects · 1건

Dermatotoxin - Skin burns.;Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.;Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.;Fibrogenic - Inducing tissue injury and fibrosis (scarring).

Exposure Routes · 2건

The substance can be absorbed into the body by inhalation and by ingestion.

inhalation, ingestion, skin and/or eye contact

Toxicity Summary · 1건

IDENTIFICATION AND USE: Thionyl chloride is a colorless to pale yellow or reddish liquid. Thionyl chloride is an industrially produced liquid used to make acyl chlorides and to synthesize pharmaceuticals including drugs and vitamins. It is used to make dyes, to prepare organic chlorine compounds, as a solvent in the production of herbicides, and as an electrolyte in lithium batteries. Thionyl chloride is also used to prepare polyacrylate-type engineering thermoplastics made from iso- and tere-phthaloyl chlorides. It is required in the manufacture of methylphosphonic dichloride, a key precursor for the nerve gas Sarin. HUMAN STUDIES: Potential symptoms of overexposure are irritation of eyes, skin, mucous membranes, as well as eye and skin burns. Symptoms of exposure range from mild irritation to death and include dyspnea, burns, pulmonary edema, and inflammation. Cases of thionyl chloride-induced lung injury have been noted. ANIMAL STUDIES: A 20-min exposure to 17.5 ppm proved fatal to cats. Male rats were exposed to 99% pure thionyl chloride in a whole-body inhalation chamber. Two of five males died at 1239 ppm, three of five died at 1509 ppm, and four of five died at 1989 ppm. All deaths occurred within 48 hours of exposure. Severe lung irritation and edema were reported as the cause of death.

Signs and Symptoms · 5건

Sore throat. Cough. Burning sensation. Shortness of breath. Laboured breathing. Symptoms may be delayed.

Pain. Redness. Serious skin burns.

Pain. Redness. Severe deep burns.

Burning sensation. Abdominal pain. Shock or collapse.

irritation eyes, skin, mucous membrane; eye, skin burns

규제 정보

Regulatory Information · 4건

Chemical: Thionyl chloride

Status: Active Update: 15-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13923;Status: Active Update: 27-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7509;Status: Active Update: 10-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16309;Status: Active Update: 27-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7525

Thionyl chloride: HSNO Approval: HSR003088 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DHS Chemicals of Interest (COI) · 4건

Thionyl chloride

A Commercial Grade

A Placarded Amount

Chemical or material that can be mixed with readily available materials.

안전 데이터

OEL
Ceiling: 1 ppm (5 mg/m3)
wgk
1
tsca
TSCA listed
rtecs
XM5150000
ridadr
UN 1836
HS 번호
28121095

화학 및 산업

약리 정보

Metabolism/Metabolites · 2건

Thionyl chloride is rapidly hydrolyzed to sulfur dioxide and hydrogen chloride and the metabolism and disposition follow those two compounds. Following inhalation, sulfur dioxide is distributed throughout the body after dissolving into surface fluid. Some remains in the respiratory system for a week or more following exposure. Urinary excretion clears it from the body. Hydrogen chloride dissolves in the nasal passages. Hydrogen chloride is not metabolized; however, hydrogen and chloride ions resulting from adsorption in the respiratory tract may be distributed throughout the body.

In view of its reactivity with water, moisture, etc., rapid hydrolysis upon contact with mucous membranes (eyes, respiratory tract) releaseing sulfur dioxide and hydrogen chloride can be expected.

Absorption, Distribution and Excretion · 1건

Thionyl chloride is rapidly hydrolyzed to sulfur dioxide and hydrogen chloride and the metabolism and disposition follow those two compounds. Following inhalation, sulfur dioxide is distributed throughout the body after dissolving into surface fluid. Some remains in the respiratory system for a week or more following exposure. Urinary excretion clears it from the body. Hydrogen chloride dissolves in the nasal passages. Hydrogen chloride is not metabolized; however, hydrogen and chloride ions resulting from adsorption in the respiratory tract may be distributed throughout the body.

용도 및 제조

Uses · 6건

Used to make herbicides, surfactants, drugs, dyes, and plastics; Also used as an electrolyte in lithium batteries; [ACGIH]

Battery Manufacturing [Category: Industry];Toxic Gas from Spilling Chemical in Water [Category: Other]

For making acyl chlorides, to replace /hydroxide or sulfhydryl/ groups with chlorine atoms; reacts with Grignard reagents to form the corresponding sulfoxides.

... Used to make acyl chlorides and to synthesize pharmaceuticals including drugs and vitamins. It is used to make dyes, to prepare organic chlorine compounds, as a solvent in the production of herbicides, and as an electrolyte in lithium batteries. Thionyl chloride is also used to prepare polyarylate-type engineering thermoplastics made from iso- and tere-phthaloyl chlorides.

/Manufacture of/ pesticides; engineering plastics, chlorinating agent, catalyst

Required in the manufacture of methylphosphonic dichloride, a key precursor for the nerve gas Sarin.

ImpuritiesThe following impurities can be present: </= 0.3% SO2, </= 0.2% SO2Cl2, ,</= 0.05% sulfur chlorides, and </= 0.1% evaporation residue.
U.S. Production · 4건

(1972) GREATER THAN 4.54X10+5 GRAMS

(1975) GREATER THAN 4.54X10+5 GRAMS

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#2291]

Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Thionyl chloride:;Table: National Aggregate Production Volume (pounds) [Table#2292]

Methods of Manufacturing · 3건

Thionyl chloride is now generally produced by treating SO2 or SO3 with SCl2 at ca. 150-250 °C in the presence of activated carbon. The crude product is purified by distillation after addition of sulfur. Crude thionyl chloride production is a continuous process, but the distillation is carried out either continuously or in batches. The side product SO2 can be reacted with chlorine to give SO2Cl2 and thus recycled. ... Technical-grade thionyl chloride can contain sulfur chlorides, SO2, and SO2Cl2. Sulfur chlorides can be removed by distillation over sulfur, in some cases with the addition of FeCl3 or AlCl3. For laboratory-scale purification, distillation with triphenyl phosphite or dipentene is recommended. Modern processes give thionyl chloride in a quality which does not require any additional purification.

Prepared by the oxidation of sulfur dichloride with sulfur trioxide ... .

Edwards, United States patent 2362057 (1944 to Hooker Electrochemical) ... .

Formulations/Preparations · 2건

Technical-grade ... The thionyl chloride content should be min. 99.6%.

Grade: 93%, 97.5%

General Manufacturing Information · 2건

Thionyl chloride: ACTIVE

/The Chemical Weapons Convention (CWC) is an international treaty which bans the development, production, stockpiling, and transfer or use of chemical weapons. The Convention mandates the destruction and prohibition of chemical weapons and related facilities and provides for restrictions on international trade in toxic chemicals and precursors./ The Convention's monitoring and verification measures involve submission of declarations regarding ... /Schedule 1, 2, and 3 chemicals/ and inspections by the Organization for the Prohibition of Chemical Weapons of the facilities where these chemicals are produced. ... Schedule 3 chemicals ... /may/ have been stockpiled or used as weapons, but ... are produced /and used/ in large quantities for purposes not prohibited by the Convention (2). Thionyl chloride is listed in the CWC Annex on Chemicals under Schedule 3 (1).

응용 분야 · 3건

용도황(S)을 포함하는 화학무기(Sulfur mustard, Amiton)의 원료- 살충제, 제초제, 계면활성제, 약품, 비타민, 염료 등의 제조용 중간체로 이용하기 위한 유기산의 산 염화물로의 변환에 이용. 리튬-염화티오닐 고성능 배터리에 이용. 고혈압 치료제, 의약품의 원료, 류마티스 치료제, 섬유 계면활성제, 구충제, 항생제의 원료, 방부제, 전자기기, 플라스틱 첨가제 등.

용도Thionyl chloride (SOCl2) is used as a chlorinating agent in manufacturing organic compounds. It is also used as a solvent in high-energy lithium batteries.

일반 설명Thionyl chloride appears as a colorless to yellow fuming liquid with a suffocating pungent odor. Boiling point 79 °C. A lachrymator. Highly corrosive and toxic. Long-term inhalation of low concentrations or short-term inhalation of high concentrations has adverse health effects.

제조 방법

Sulfurous oxychloride can be prepared by oxidation of sulfur dichloride with sulfur trioxide: SCl2 + SO3 → SOCl2 + SO2 Also, the compound can be prepared by reacting sulfur dioxide with phosphorus pentachloride: SO2 + PCl5 → SOCl2 + POCl3.

상·하류 제품 정보

하류 제품

ALPHA-ACETYL-2-HYDROXY-BETA-OXO-BENZENEPROPANOICACID모노나트륨염Cyclopentanecarbonyl chlorideQuinoline-2-carbonyl chloride2,6-Pyridinedicarboxylic acid chloride1-페녹시-2-클로로프로판2,3-Dichloropyridine-5-carbonyl chlorideCinnamamide염화 N-(클로로메틸렌)-N-메틸메탄아미늄 (1:1)Reactive Turquoise Blue Kn-G1-(1-2-하이드록시페닐)에틸렌)-1H-이미다졸m-Tolyl-methanesulfonyl chloride(2-Hydroxy-phenyl)-acetic acid methyl ester

공급사50 곳

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南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

추가 설명

정의ChEBI: Thionyl chloride is a sulfinyl halide in which both of the halide atoms are chorines. It is a sulfinyl halide and a chlorine molecular entity.

관련 반응

28,003건

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