기본 정보
- 표준 SMILES
O=S(=O)(O)Cl- InChIKey
XTHPWXDJESJLNJ-UHFFFAOYSA-N- 분자식
- ClHO3S
- 평균 분자량
- 116.53 g/mol
- 단동위원소 질량
- 115.93349257
개요
Chlorosulfonic acid appears as a colorless to yellow colored fuming liquid with a pungent odor. Density 14.7 lb / gal. Causes severe burns. Very toxic by inhalation. Corrosive to metals.
이름 및 식별자
- 우선 이름
- Chlorosulfonic acid
- IUPAC
- sulfurochloridic acid
- 현지명
- 클로로술폰산
- 영어명
- Chlorosulfonic acid
- 분자식
- ClHO3S
- 분자량
- 116.52
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
7790-94-5- PubChem CID
- 24638
- DTXSID
DTXSID1029706- UNII
- 2O9AXL1TJ4
- EC Number
- 232-234-6
- Nikkaji
- J1.297A
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 62.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 92.6
실험 및 물리화학적 성질
Chemical Classes
Toxic Gases & Vapors -> Other Toxic Gases & Vapors
Corrosives
Density
1.75 at 68 °F (USCG, 1999) - Denser than water; will sink
SPECIFIC GRAVITY: 1.76-1.77 AT 20 °C/20 °C; 1.784 AT 0 °C/4 °C; 1.753 AT 20 °C/4 °C.
Relative density (water = 1): 1.75
1.75 @25 °C
Solubility
/COMMON SOLVENTS INCLUDE/ LIQUID SULFUR DIOXIDE, PYRIDINE, & DICHLOROETHANE.
Solubility in water: reaction
Boiling Point
311 °F at 760 mmHg (USCG, 1999)
151-152 °C AT 755 MM HG; 74-75 °C AT 19 MM HG; 60-64 °C AT 2-4 MM HG
at 100kPa: 151-152 °C
152 °C @760 [mm Hg]
Melting Point
-112 °F (USCG, 1999)
-80 °C
-80 °C
-80 °C
Vapor Density
4.02 (AIR= 1)
Relative vapor density (air = 1): 4.02
Vapor Pressure
1.55 mmHg (USCG, 1999)
0.75 [mmHg]
1 MM HG AT 32 °C
Vapor pressure, Pa at 20 °C: 133
7.5 [mm Hg] @38.700000000000003 °C
물리화학적 성질
- 녹는점
- -80 °C · -80°C
- 끓는 점
- 151 · 151-152 °C/755 mmHg (lit.)
- 밀도
- 1.753 g/mL · 1.753 g/mL at 25 °C (lit.)
- 증기 밀도
- 4 · 4 (vs air)
- 증기압
- 1 mm · 1 mm Hg ( 25 °C)
- 굴절률
- 20 · n20/D 1.433(lit.)
- 인화점
- 158 °C · 158°C
- 저장 조건
- Room Temperature, under inert atmosphere
- 용해도
- 탄화수소와 혼합 가능.
- 물리적 상태
- 공기 중에서 발연하는 유성 액체
- 산도 계수 (pKa)
- -6.49 · -6.49±0.15(Predicted)
- Specific Gravity
- 1.753 · 1.753
- 색상
- 노란색에서 갈색으로
- 수소이온지수(pH)
- 1 · <1 (20°C in H2O, Aqueous solution; rigorous decomposition)
- 수용성
- 물과 반응
- Merck
- 14 · 14,2165
- 안정성
- Stable, but reacts violently with water. In case of spills, mop up with sand - do not add water. Reacts with most metals to yield (flammable) hydrogen gas. Incompatible with strong bases, carbonates, water, combustible materials, strong oxidizing agents, most metals, organic materials, sulfides, cyanides, carbides.
- InChI
- 1S/ClHO3S/c1-5(2,3)4/h(H,2,3,4)
- InChIKey
- XTHPWXDJESJLNJ-UHFFFAOYSA-N
- SMILES
- OS(Cl)(=O)=O
- LogP
- -0.003 at · -0.003 at 25℃
- EPA
- Chlorosulfonic acid (7790-94-5)
화학적 성질
Chlorosulfonic acid, ClS03H, also known as chlorosulfuric acid and sulfuric chlorohydrin, is an colorless to light yellow oily liquid. It is formed from sulfur trioxide and hydrogen chloride, but decomposes in water to form hydrochloric acid and sulfuric acid.It is a vigorous dehydrating agent and is used in manufacturing synthetic drugs,poison gas, and saccharin.
안전 및 규제
GHS 분류
GHS Classification
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: Chlorosulfuric acid
Chlorosulfuric acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Chlorosulfuric acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 19-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11125
Chlorosulphonic acid: Does not have an individual approval but may be used under an appropriate group standard
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.)
Fire Hazards
Special Hazards of Combustion Products: Decomposes into irritating and toxic gases
· EXCEPT FOR ACETIC ANHYDRIDE (UN1715), THAT IS FLAMMABLE, some of these materials may burn, but none ignite readily.
Not combustible but enhances combustion of other substances. Many reactions may cause fire or explosion. Gives off irritating or toxic fumes (or gases) in a fire. Risk of fire and explosion on contact with many substances.
Health Hazards
INHALATION: vapor extremely irritating to lungs and mucous membranes. Vapor has such a sharp and pentrating odor that inhalation of severely toxic quantities is unlikely unless it is impossible to escape the fumes. CONTACT WITH EYES OR SKIN: liquid acid will severely burn body tissue. (USCG, 1999)
· CORROSIVE and/or TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards Summary
Highly corrosive to skin; [Quick CPC] High inhalation exposure can induce pulmonary edema; [CHEMINFO] A corrosive substance that can cause pulmonary edema; May cause erosion of teeth enamel; [ICSC] Reacts with water to produce hydrochloric and sulfuric acid; [AIHA]
안전 및 보호
Fire Fighting
Excerpt from ERG Guide 137 [Substances - Water-Reactive - Corrosive]:
In case of fire in the surroundings, use appropriate extinguishing media. In case of fire: keep drums, etc., cool by spraying with water. NO direct contact with water.
First Aid Measures
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. Give one or two glasses of water to drink. Refer for medical attention .
Accidental Release Measures
· 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.
· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.
First Aid
Call a physician in all cases.
General First Aid:
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].
Fire Fighting Procedures
Use water spray, dry chemical, foam carbon dioxide. DO NOT allow water to make contact with material, as highly acidic run-off will be formed. Use water spray to keep fire-exposed containers cool. Closed containers may rupture violently when heated.
Storage Conditions
KEEP TIGHTLY CLOSED.
Store in a cool, dry, well-ventillated location. Separate from water, acids, alkalies, alcohols.
Cleanup Methods
Spills of hazardous chemicals (such as inorganic sulfur acids, oleums of strength 35 to 65%, liquid sulfur trioxide, or chlorosulfonic acid) can be treated with high molecular weight polyacrylamide, polymethyl methacrylate or a blend of polyacrylamides. Each forms a polymer skin over the liquid surface, suppressing the fume & allowing access to the spill so that cleanup can be done in a controlled manner. Polyacrylamide variant DP 1916 is best treatment for chlorosulfonic acid & oleum 20. Polycarbonate granules used in a layer approx 80 mm thick topped off with Sorboil (an absorbent clay) is best treatment for diked spills of oleums of all strengths & liq sulfur trioxide. The acid beneath the skin is best recovered by pumping. Unconfined spills of sulfur trioxide & oleums of all strengths can be treated with excess anhydrous sodium sulfate which forms a concrete-like residue that can be sprayed with water within 1 hour, dissolving it slowly. Expanded perlite, if contained in degradable bags, will effectively absorb & contain sulfur acids. Fumes of oleum 65% arising from spillage of 80 to 750 kg can be killed within 4 to 13 min. Asphalt or concrete is slightly affected.
Spillage Disposal
Evacuate danger area! Consult an expert! Personal protection: complete protective clothing including self-contained breathing apparatus. Ventilation. Collect leaking liquid in sealable containers. Cautiously neutralize remainder with alkaline materials, crushed limestone, sodium bicarbonate or soda ash. Then wash away with plenty of water. Do NOT absorb in saw-dust or other combustible absorbents.
독성 정보
Environmental Fate
TERRESTRIAL FATE: If chlorosulfonic acid is released to soil, it will be expected to rapidly hydrolyze if the soil is moist, based upon the reported violent hydrolysis by water(1,SRC). Since it rapidly hydrolyzes, biodegradation, adsorption to and volatilization from moist soil are not expected to be significant processes, although no data specifically regarding the fate of chlorosulfonic acid in soil were located(SRC). Based upon a measured vapor pressure of 0.75 mm Hg at 20 °C(2), volatilization from dry near-surface soil or other surfaces may be a significant process(SRC).
AQUATIC FATE: If chlorosulfonic acid is released to water, it will be hydrolyzed violently by the water producing hydrogen chloride and sulfuric acid(1). Based upon this rapid and violent hydrolysis, bioconcentration, biodegradation, volatilization, and adsorption to sediment and suspended solids are not expected to be significant processes(SRC).
ATMOSPHERIC FATE: If chlorosulfonic acid is released to the atmosphere, it will be expected to exist almost entirely in the vapor phase(1) based upon a reported vapor pressure of 0.75 mm Hg at 20 °C(2). It may be susceptible to hydrolysis in moist air based upon its rapid hydrolysis in aqueous solution(4,SRC) and the report that the chemical fumes in air(5). It will be susceptible to photooxidation via vapor phase reaction with photochemically produced hydroxyl radicals. An atmospheric half-life of 1.2 years at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm has been calculated for this process based upon an estimated rate constant(3,SRC).
Signs and Symptoms
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. Nausea. Shock or collapse.
Human Toxicity Excerpts
IN CHEMISTRY LAB, 1 PATIENT /HOLDING FLASK CONTAINING 30 ML OF CHLOROSULFONIC ACID PLUS CHLOROBENZENE AT ABOUT ROOM TEMP ACCIDENTALLY DROPPED ... IT/ INTO WATER & RESULTING EXPLOSION PROJECTED CONTENTS INTO HIS FACE ... HE WAS ABLE TO WASH ... EYES WITH WATER ... WITHIN FEW SECONDS. BURNS OF CORNEA & CONJUNCTIVA WERE RESTRICTED TO PALPEBRAL FISSURE. BURNS OF LIDS WERE MORE SEVERE /& SUBSEQUENTLY UNDERWENT INCREASING SWELLING & LOSS OF PATCHES OF SKIN./ ... WITHIN 2 WK LIDS WERE HEALING WELL & CORNEAS HAD ONLY TINY AREAS OF UNHEALED EPITHELIUM ... VISION WAS RETURNING TO NORMAL.
SYMPTOMATOLOGY ( ... INGESTION OR SKIN CONTACT): 1. CORROSION OF MUCOUS MEMBRANES OF MOUTH, THROAT ... ESOPHAGUS, WITH ... PAIN & DYSPHAGIA. NECROTIC AREAS ... GRAYISH WHITE BUT SOON ... BLACKISH DISCOLORATION (YELLOW IN CASE OF NITRIC ACID) & SOMETIMES SHRUNK OR WRINKLED TEXTURE. 2. EPIGASTRIC PAIN ... MAY BE ASSOC WITH NAUSEA & VOMITING ... INTENSE THIRST. 3. CIRCULATORY COLLAPSE ... CLAMMY SKIN, WEAK & RAPID PULSE, SHALLOW RESP ... SCANTY URINE. ... SHOCK IS OFTEN ... CAUSE OF DEATH. 4. ASPHYXIAL DEATH DUE TO GLOTTIC EDEMA. 5. ULCERATION OF ALL MEMBRANES & TISSUES WITH WHICH ACID COMES IN CONTACT. ULCERATED AREAS OFTEN PERFORATE, LEADING TO MEDIASTINITIS & PERITONITIS. 6. LATE ESOPHAGEAL, GASTRIC & PYLORIC STRUCTURES & STENOSIS ... MAY REQUIRE ... SURGICAL REPAIR, SHOULD BE ANTICIPATED. PERMANENT SCARS MAY ... APPEAR IN CORNEA, SKIN & OROPHARYNX. 7. UNCORRECTED CIRCULATORY COLLAPSE OF SEVERAL HR ... MAY LEAD TO RENAL FAILURE & ISCHEMIC LESIONS IN LIVER & HEART. /ACIDS/
... EXTREMELY CAUSTIC LIQUID WHICH GIVES OFF FUMES VERY IRRITATING TO EYES & RESP PASSAGES.
Artificial Pollution Sources
Chlorosulfonic acid may be released to the environment as a result of its manufacture and use as an intermediate in the synthesis of detergents, pharmaceuticals, sulfonating agents for dyes, pesticides, ion-exchange resins, anhydrous hydrogen chloride, and smoke-producing chemicals(1).
Environmental Biodegradation
No data were located concerning the biodegradation of chlorosulfonic acid either in natural systems or in laboratory studies(SRC). Since chlorosulfonic acid is violently hydrolyzed in water(1), biodegradation is not expected to be a significant process(SRC).
Volatilization from Water/Soil
Since chlorosulfonic acid is violently hydrolyzed in water(1), it is not possible to estimate the half-life for volatilization from these media(SRC). Volatilization from water and moist soil, however, is not expected to be significant relative to rapid hydrolysis(SRC). Based upon a measured vapor pressure of 0.75 mm Hg at 20 °C(2), volatilization of chlorosulfonic acid from surfaces and near-surface dry soil may be significant processes(SRC).
Environmental Abiotic Degradation
Chlorosulfonic acid reacts violently with water, hydrolyzing to hydrogen chloride and sulfuric acid(1) which indicates that the compound has a very short half-life in aqueous media(SRC). Chlorosulfonic acid fumes in air(3) suggesting that the compound may be susceptible to hydrolysis in the atmosphere(SRC). The rate constant for the vapor phase reaction of chlorosulfonic acid with photochemically produced hydroxyl radicals has been estimated to be 0.036X10-12 cu cm/molecule-sec at 25 °C which corresponds to an atmospheric half-life of 1.2 years at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(2,SRC).
규제 정보
Atmospheric Standards
This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Chlorosulfonic acid is produced, as an intermediate or final product, by process units covered under this subpart.
CERCLA Reportable Quantities
Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 1000 lb or 454 kg. The toll free number of the NRC is (800) 424-8802; In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).
DHS Chemicals of Interest (COI)
Chlorosulfonic acid
A Commercial Grade
A Placarded Amount
Chemical or material that can be mixed with readily available materials.
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- FX5730000
- ridadr
- UN 1754 (CHLOROSULPHONIC ACID (with or without sulphur trioxide))
- HS 번호
- 28062000
- risk_code
- 14-35-37
- hazard_code
- C
- safety_code
- 26-45
- 포장분류
- I
- 위험 등급
- 8
- 기존화학 물질
- KE-05909
- Hazard Classifications
- Acute Tox. 1 InhalationEye Dam. 1Skin Corr. 1ASTOT SE 3
- 스토리지 클래스
- 6.1B - Non-combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- 유해 물질 데이터
- 7790-94-5(Hazardous Substances Data)
- 함량 및 규제정보
- 물질구분: 유독물질; 혼합물(제품)함량정보: 클로로술폰산 및 이를 25% 이상 함유한 혼합물
- 유해화학물질 필터링
- 97-1-277
- 사고대비 물질 필터링
- 52
화학 및 산업
용도 및 제조
Uses
Used to produce surfactants, detergents, ion-exchange resins, dyes, pesticides, military smoke screens, and other chemicals; [HSDB]
Toxic Gas from Spilling Chemical in Water [Category: Other]
CHEM INT FOR DYES, PESTICIDES INCL DISUL & TEDION, ION-EXCHANGE RESINS, PHARMACEUTICALS INCL SULFA DRUGS & SACCHARIN, ALKYL SULFATE SURFACTANTS, ALKYLPHENOL ETHOXYLATE SULFATE SURFACTANTS; COMPONENT OF FS MILITARY SCREENING SMOKE.
AS CHLOROSULFONATING & CONDENSING AGENT IN ORG SYNTHESES.
MFR OF SYNTHETIC DETERGENTS, ANHYDROUS HYDROGEN CHLORIDE & SMOKE-PRODUCING CHEMICALS.
U.S. Exports
(1972) 1.2X10+10 G (INCL HYDROCHLORIC ACID)
(1975) 1.40X10+9 G (INCL HYDROCHLORIC ACID)
U.S. Production
2023: 8,500,000 - <25,000,000 lb
(1968) 6.8X10+10 GRAMS (DEMAND)
Consumption Patterns
APPROXIMATELY 40% AS A CHEM INT FOR SULFATE SURFACTANTS; 20% AS A CHEM INT FOR PHARMACEUTICALS; 15% AS A CHEM INT FOR DYES; 8% AS A CHEM INT FOR PESTICIDES; 5% AS A CHEM INT FOR ION-EXCHANGE RESINS; AND 12% FOR MISCELLANEOUS USES (1968).
Toluenesulfonamides, 33%; surfactants, 27%; dyes, 18%; herbicides, 11%; pharmaceuticals, 4%; miscellaneous, 7%, (1982).
Methods of Manufacturing
REACTION OF SULFUR TRIOXIDE AND HYDROGEN CHLORIDE.
By treating sulfur trioxide or fuming sulfuric acid with hydrochloric acid.
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Chlorosulfuric acid: ACTIVE
Exports, chiefly to Canada, and imports are small.
응용 분야
용도생체에 대하여 격하게 작용하고, 피부에 접하면 심한 약상을 일으키며 허용 농도는 명확하지 않다. 공중의 수분과 반응하여 염산과 황산으로 분해하므로 양자의 상승 작용이 있다고 생각해도 좋다. 습한 공기중에서는 발연한다. 물과 격렬하게 반응하여 황산과 염산을 생성한다. 장시간 가열하면 황산, 이산화황, 염소로 분해한다. 피부를 심하게 침식한다.
용도염소화제, 술폰화제로 사용된다.합성 세제의 제조 등에 쓰인다.
용도Chlorosulfonic acid is used as detergent and as an anti-contrail agent. It is used as an intermediate in the production of other substances such as pharmaceuticals and chemicals. It finds application in producing smoke screens.
일반 설명A colorless to yellow colored fuming liquid with a pungent odor. Density 14.7 lb / gal. Causes severe burns. Very toxic by inhalation. Corrosive to metals.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
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