基本信息
- 标准SMILES
COS(=O)(=O)F- InChIKey
MBXNQZHITVCSLJ-UHFFFAOYSA-N- 分子式
- CH3FO3S
- 平均分子量
- 114.1 g/mol
- 单同位素质量
- 113.97869318
概述
methylating agent, very toxic; HF & sulfuric acid generated when in contact with water; structure
名称与标识
- 首选名称
- Methyl fluorosulfate
- IUPAC
- fluorosulfonyloxymethane
- 中文名
- 氟磺酸甲酯
- 英文名
- Methyl fluorosulfonate
- 分子式
- CH3FO3S
- 分子量
- 114.1
名称与别名
展开更多名称
数据库标识
- CAS
421-20-5- PubChem CID
- 9870
- DTXSID
DTXSID8073180- UNII
- N015VFJ94Z
- EC Number
- 207-004-3
- Nikkaji
- J53.975I
性质
结构计算性质
- XLogP
- 0.2
- 极性表面积
- 51.8 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 1
- 重原子
- 6
- 形式电荷
- 0
- 复杂度
- 107
实验与物化性质
物理化学性质
- 熔点
- -95 ° · -95°
- 沸点
- 93 °C · 93 °C
- 密度
- 1.45 · 1.45
- 折射率
- 20 · nD20 1.3326
- 闪点
- 10 ℃ · 10℃
- 形态
- liquid
- Merck
- 6075 · 6075
- CAS 数据库
- 421 · 421-20-5(CAS DataBase Reference)
- EPA化学物质信息
- Fluorosulfuric acid, methyl ester (421-20-5)
安全与法规
GHS分类
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.
危害信息
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]
安全与防护
Protective Action Criteria (PAC)
0.0021 [ppm]
0.023 [ppm]
0.14 [ppm]
毒理信息
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.
安全数据
- 毒性
- LD50 orally in mice: <112 mg/kg; LC50 1 hr for rats: 5-6 ppm (Hite)
- RTECS号
- LP0720000
- hazard_note
- Corrosive
- 安全说明
- 26-36/37/39
- 危险品标志
- C
- 危险类别码
- 34
- 毒害物质数据
- 421-20-5(Hazardous Substances Data)
- 危险品运输编号
- 3265
化学与工业
用途与制造
上下游产品信息
上游原料
下游产品
试剂价格
- F0238 · 5G
- 氟磺酸甲酯(含稳定剂氟化钾)[用于酯化]Methyl Fluorosulfonate (stabilized with KF) [for Esterification] — 1280元
- F0238 · 25G
- 氟磺酸甲酯(含稳定剂氟化钾)[用于酯化]Methyl Fluorosulfonate (stabilized with KF) [for Esterification] — 2990元
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