기본 정보
- 표준 SMILES
COS(=O)(=O)F- InChIKey
MBXNQZHITVCSLJ-UHFFFAOYSA-N- 분자식
- CH3FO3S
- 평균 분자량
- 114.1 g/mol
- 단동위원소 질량
- 113.97869318
개요
methylating agent, very toxic; HF & sulfuric acid generated when in contact with water; structure
이름 및 식별자
- 우선 이름
- Methyl fluorosulfate
- IUPAC
- fluorosulfonyloxymethane
- 현지명
- 메틸 플루오로설페이트
- 영어명
- Methyl fluorosulfonate
- 분자식
- CH3FO3S
- 분자량
- 114.1
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
421-20-5- PubChem CID
- 9870
- DTXSID
DTXSID8073180- UNII
- N015VFJ94Z
- EC Number
- 207-004-3
- Nikkaji
- J53.975I
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 51.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 107
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- -95 ° · -95°
- 끓는 점
- 93 °C · 93 °C
- 밀도
- 1.45 · 1.45
- 굴절률
- 20 · nD20 1.3326
- 인화점
- 10 ℃ · 10℃
- 물리적 상태
- 액체
- Merck
- 6075 · 6075
- EPA
- Fluorosulfuric acid, methyl ester (421-20-5)
화학적 성질
Colorless liquid; ethereal odor.
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazards Summary
Extremely toxic; May cause pulmonary edema; [Merck Index] Reacts with moisture producing corrosive vapor; A strong tissue irritant; [Hawley] Evolves hydrofluoric and sulfuric acid on contact with water; [ChemIDplus] Corrosive to skin of rabbits; May cause pulmonary edema and corneal damage; Emergency treatment: see Hydrogen fluoride. [HSDB] A mutagen; Causes lacrimation and dyspnea in lethal-dose inhalation studies of rats; [RTECS] An irritant; May cause serious eye injury; May cause pulmonary edema; [MSDSonline]
안전 및 보호
Protective Action Criteria (PAC)
0.0021 [ppm]
0.023 [ppm]
0.14 [ppm]
독성 정보
Human Toxicity Excerpts
THE POTENTIAL HAZARDS INCL PULMONARY EDEMA & CORNEAL DAMAGE ARE REITERATED.
INHALATION OF A MINUTE QUANTITY PROVED FATAL TO A 25-YR-OLD WHO SPILLED A FEW MILLILITERS OF FLUID CONTAINING METHYLFLUOROSULFONATE ON HIS CLOTHING.
EVALUATED IN 2 IN VITRO ASSAYS, SALMONELLA REVERSE MUTATION ASSAY OF AMES & CELL TRANSFORMATION ASSAY OF STYLES. FINDINGS WERE CONSISTENT WITH THIS MATERIAL BEING A POSSIBLE CARCINOGEN.
MARKEDLY TOXIC BY ALL ROUTES STUDIED (ORAL, INHALATION, OCULAR & DERMAL) PARTICULARLY BY INHALATION ROUTE.
Non-Human Toxicity Excerpts
EYE IRRITATION STUDY IN RABBITS SHOWED THAT IT WAS SEVERELY IRRITATING & CAPABLE OF PRODUCING TOXIC SIGNS & DEATH BY OCULAR ROUTE. DERMAL IRRITATION STUDY IN RABBITS SHOWED THAT IT WAS NOT ONLY CORROSIVE TO SKIN BUT ALSO CAPABLE OF CAUSING DEATH BY THIS ROUTE.
Antidote and Emergency Treatment
REMOVE CONTAMINATED CLOTHING IMMEDIATELY & DISPOSE OF WITH GREAT CARE. PROTECT PERSONNEL PROVIDING CARE FROM CONTAMINATION.
IMMEDIATE ADMIN OF CORTICOSTEROIDS SHOULD BE CONSIDERED IF THIS AGENT IS THOUGHT TO HAVE BEEN INHALED. CONTINUOUS CLOSE OBSERVATION DURING FIRST 24 HR IS NECESSARY.
안전 데이터
- rtecs
- LP0720000
- ridadr
- 3265
- 독성
- LD50 orally in mice: <112 mg/kg; LC50 1 hr for rats: 5-6 ppm (Hite)
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39
- 위험 참고 사항
- Corrosive
- 유해 물질 데이터
- 421-20-5(Hazardous Substances Data)
화학 및 산업
용도 및 제조
응용 분야
용도In organic synthesis as methylating agent.
상·하류 제품 정보
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