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N-프로필클로로티오포메이트

S-propyl chlorothioformate

HCID 26323
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
13889-92-4
표준 SMILES
CCCSC(=O)Cl
InChIKey
FYOPSYJKEHWOBR-UHFFFAOYSA-N
분자식
C4H7ClOS
평균 분자량
138.62 g/mol
단동위원소 질량
137.9906137

개요

Blackish-brown liquid. (NTP, 1992)

이름 및 식별자

우선 이름
S-propyl chlorothioformate
IUPAC
S-propyl chloromethanethioate
현지명
N-프로필클로로티오포메이트
영어명
n-Propyl chlorothioformate
분자식
C4H7ClOS
분자량
138.62

이름 및 동의어

S-PROPYL CHLOROTHIOFORMATEPropyl chlorothioformateCarbonochloridothioic acid, S-propyl estern-Propyl thiochloroformatePropyl chlorothiolformaten-Propyl chlorothiolformateS-(n-propyl)chlorothioformic acidCCRIS 6097HSDB 6155S-(n-Propyl) carbonochloridothioateEINECS 237-656-4NSC 72086
이름 더 보기
N-프로필클로로티오포메이트propylchlorothioformatepropylchlorothiolformateS-PROPYL THIOCHLOROFORMATEn-Propyl chlorothioformate1-(Chloroformylthio)propanen-propylthiochloroformate[qr](PROPYLTHIO)CARBONYL CHLORIDES-Propyl chlorothioformate 96%
BRN 1633747AI3-52665NSC-72086S-propyl carbonochloridothioateS-PROPYL CHLOROTHIOFORMATE [HSDB]nPropyl chlorothioformatenPropyl thiochloroformateSPropyl thiochloroformate

데이터베이스 식별자

CAS
13889-92-4
PubChem CID
26323

물성

구조 계산 물성

XLogP
2.6
극성 표면적
42.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
7
형식 전하
0
복잡도
64.7

실험 및 물리화학적 성질

Chemical ClassesToxic Gases & Vapors -> Acid Halides
pHpH 0.2-1.5 (1:1:1 vol - % n-propl chlorothioformate:acetone:water)
SpringerMaterials PropertiesMolecular structure
OdorPenetrating
Density · 2건

1.053 at 66 °F (NTP, 1992) - Denser than water; will sink

1.1

Viscosity4 cps at 20 °C
Color/FormAmber-colored liquid
Solubility · 3건

less than 1 mg/mL at 68 °F (NTP, 1992)

INSOL IN WATER

Soluble in dichloroethane.

Flash Point · 3건

144 °F (NTP, 1992)

63 °C

63 °C

Boiling Point155 °C
Vapor Density4.8 (AIR= 1)
Vapor Pressure

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

DOT LabelCorrosive Flammable Liquid
Fire HazardsThis chemical is combustible. (NTP, 1992)
Fire PotentialThis material is considered combustible.
Health HazardsACUTE/CHRONIC HAZARDS: This compound may be corrosive and may cause lachrymation. (NTP, 1992)
Hazards SummaryLachrymator; May hydrolyze after inhalation releasing HCl; Causes acute pulmonary edema in animal inhalation experiments; [HSDB] Harmful if ingested; Causes burns; Lachrymator; [MSDSonline]
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Special ReportsITC/USEPA; Information Review #331 (Draft) S-(n-propyl) Chlorothioformate (1983)
TSCA RequirementsReported in TSCA inventory
Reactivity Profile · 1건

S-(N-PROPYL)CHLOROTHIOFORMIC ACID reacts exothermically with acids. May generate hydrogen sulfide with acids. Strong oxidizing agents may cause vigorous reactions that are sufficiently exothermic to ignite the reaction products. Reacts exothermically with caustic solutions. Flammable hydrogen is generated by mixing with alkali metals and hydrides.

화학 및 산업

용도 및 제조

Uses · 4건

Used to make thiocarbamate pesticides and herbicides; [HSDB]

Manufacture of thiocarbamate pesticides.

Synthetic intermediate used to produce derivatives of thiolformate.

Compound is used as an intermediate in the manufacture of herbicides.

U.S. Production1-10 million pounds produced in 1977; current annual production is 1-10 million pounds.
Formulations/PreparationsThe pesticide products, which appear to be vernolate and pebulate, are marketed by Stauffer under the trade names Vernam and PEBC, respectively.
General Manufacturing InformationCarbonochloridothioic acid, S-propyl ester: INACTIVE

응용 분야

일반 설명Blackish-brown liquid.

공급사10 곳

常州金和生物科技有限公司18796930758 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]

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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
DTXSID
DTXSID8025963
ChEMBL
CHEMBL1469099
UNII
S8YPJ4718Q
EC Number
237-656-4
Nikkaji
J23.980A
· 3건

178.8 mmHg at 100 °F (NTP, 1992)

6.27 [mmHg]

6.27 mm Hg at 25 °C.

물리화학적 성질

끓는 점
37 °C/ · 37 °C/ 8 mmHg
밀도
1.149 g/mL · 1.149 g/mL at 25 °C
굴절률
20 · n 20/D 1.4807
인화점
49 °C · 49 °C
저장 조건
2 · 2-8°C
InChI
1S/C4H7ClOS/c1-2-3-7-4(5)6/h2-3H2,1H3
InChIKey
FYOPSYJKEHWOBR-UHFFFAOYSA-N
SMILES
CCCSC(Cl)=O
EPA
S-Propyl chlorothioformate (13889-92-4)
Air and Water ReactionsSensitive to moisture (NTP, 1992). Slowly hydrolyzed. Insoluble in water.
NFPA Hazard Classification · 3건

2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.

2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.

0 - Materials that in themselves are normally stable, even under fire conditions.

Toxic Combustion ProductsUnder fire conditions ... will decompose to give off toxic materials.

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Firefighting HazardsVapors are extremely irritating to the respiratory tract and may cause breathing difficulty and pulmonary edema. Symptoms may be delayed several hours or longer depending on exposure.
Fire Fighting Procedures · 1건

Use water, dry chemicals, foam or carbon dioxide. If drums are not leaking, keep cooled with a water spray. High pressure water hose may spread product from broken containers increasing contamination hazards. Use of contaminated buildings, areas and equipment must be prevented until they are properly decontaminated.

Storage ConditionsContainers should be stored in a cool, dry, well-ventilated area. Store away from flammable materials, sources of heat and flame and foodstuffs. Exercise due caution to prevent damage to or leakage from the container.
Cleanup Methods · 1건

Soak up pooled liquid with a suitable neutralizing absorbent, such as dry calcium hydroxide. Exercise caution during the neutralization as considerable heat may be generated. Place the absorbed material into a suitable chemical waste container. Apply diethanolamine (DEA) to the spill area and allow to stand for 5 min. Using wet towels, wipe up the DEA. Flush the spill area to remove residual DEA.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Personal Protective Equipment (PPE) · 2건

MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

Firefighters should wear full-face, self-contained breathing apparatus and impervious clothing such as gloves, hoods, suits and rubber boots.

독성 정보

Environmental Fate · 3건

Atmospheric: photolysis and hydrolysis in water droplets should rapidly destroy the cmpd in the atmosphere.

S-(n-propyl) chlorothioformate is likely to have minimal environmental release. The manufacture of the cmpd should take place in a closed system. Use of this cmpd as an intermediate in preparation of pesticides is likely to also occur in a closed system.

Atmospheric: ... based on its estimated volatility the cmpd could move into the atmosphere.

Adverse EffectsDermatotoxin - Skin burns.
Environmental BioconcentrationBased on its octanol/water partition coefficient S-(n-propyl) Chlorothioformate is not expected to bioconcentrate.
Non-Human Toxicity Excerpts · 4건

Propyl mercaptan, a hydrolysis product of s-(n-propyl)chlorothioformate caused severe irritation to the eye of a rabbit at 83 mg. /propyl mercaptan/

S-(n-propyl) chlorothioformate may act as ... a vesicant and, after inhalation, may produce respiratory tract effects due to release of HCl by hydrolysis and acylation of tissue nucleophiles.

A single oral dose of 566 mg/kg did not produce signs of toxicity in male or female rats. Signs of toxicity at larger, /not specified/, doses included decreased physical activity, lacrimation, piloerection and weakened righting and placement reflexes.

A single one-hr inhalation exposure of 1.3 mg/l (nominal concn) produced ataxia, gasping, lacrimation and 70% mortality in rats. Necropsy revealed pulmonary edema, and congested liver and/or lungs.

Environmental Abiotic Degradation · 2건

Hydrolysis rate constant of s-(n-propyl) chlorothioformate is 29.6 x 10-4; half-life (min) 3.9 in water at 4.6 °C.

S-(n-propyl) chlorothioformate hydrolyzes to produce n-propyl mercaptan.

Antidote and Emergency Treatment · 4건

Ingestion: do not induce vomiting. Immediately give large quantities of water. If vomiting does occur, give fluids again. Never give anything by mouth to an unconscious person.

Skin contact; Immediately remove contaminated clothing, wiping away excess material from the skin. Under a safety shower, flush all affected areas with large amounts of water for at least 15 min. Do not attempt to neutralize with chemical agents.

Eye contact: Immediately flush the eyes with large quantities of water for a minimum of 15 min. Hold the eyelids apart during the flushing to ensure rinsing of the entire surface of the eye and lids with water. Do not attempt to neutralize with chemical agents. Obtain medical attention as soon as possible. Oils or ointments should not be used. Continue the flushing for an additional 15 minutes if the physician is not immediately available.

Inhalation: Remove from contaminated atmosphere. If breathing has ceased, clear the victim's airway and start mouth-to-mouth artificial respiration, which may be supplemented by the use of a bag-mask respirator or a manually-triggered, oxygen supply capable of delivering one l/sec or more. If the victim is breathing, oxygen may be delivered from a demand-type or continuous-flow inhalator, preferably with a physician's advice

Toxicity DataLCLo (rat) = 1,300 mg/m3
Non-Human Toxicity Values · 2건

LD50 rat po 1129 mg/kg; toxic effects: eye, skin, and behavioral symptoms

LD50 rabbit dermal 4500 mg/kg

규제 정보

TSCA RequirementsReported in TSCA inventory

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
LQ7005000
ridadr
UN 2920 8/PG 2
risk_code
10-22-34
hazard_code
C
safety_code
28-36/37/39-45
Hazard Classifications
Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
스토리지 클래스
3 - Flammable liquids
유해 물질 데이터
13889-92-4(Hazardous Substances Data)
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司
021-61415566 800-8193336 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
河南奥诗曼生物科技有限公司13761588971 17719817155 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]