基本情報
- 標準SMILES
COS(=O)(=O)F- InChIKey
MBXNQZHITVCSLJ-UHFFFAOYSA-N- 分子式
- CH3FO3S
- 平均分子量
- 114.1 g/mol
- 単同位体質量
- 113.97869318
概要
methylating agent, very toxic; HF & sulfuric acid generated when in contact with water; structure
名称と識別子
- 優先名称
- Methyl fluorosulfate
- IUPAC
- fluorosulfonyloxymethane
- 現地名
- フルオロスルホン酸 メチル
- 英語名
- Methyl fluorosulfonate
- 分子式
- CH3FO3S
- 分子量
- 114.1
名称と別名
名称をさらに表示
データベース識別子
- CAS
421-20-5- PubChem CID
- 9870
- DTXSID
DTXSID8073180- UNII
- N015VFJ94Z
- EC Number
- 207-004-3
- Nikkaji
- J53.975I
物性
構造計算による物性
- XLogP
- 0.2
- 極性表面積
- 51.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 1
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 107
実験および物理化学的性質
物理化学的性質
- 融点
- -95 ° · -95°
- 沸点
- 93 °C · 93 °C
- 比重(密度)
- 1.45 · 1.45
- 屈折率
- 20 · nD20 1.3326
- 闪点
- 10 ℃ · 10℃
- 外見
- 液体
- Merck
- 6075 · 6075
- CAS データベース
- 421 · 421-20-5(CAS DataBase Reference)
- EPAの化学物質情報
- Fluorosulfuric acid, methyl ester (421-20-5)
化学的性質
化学的特性Colorless liquid; ethereal odor.
安全と法規制
GHS分類
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.
危険有害性情報
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]
安全と保護具
Protective Action Criteria (PAC)
0.0021 [ppm]
0.023 [ppm]
0.14 [ppm]
毒性情報
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.
安全データ
- rtecs
- LP0720000
- ridadr
- 3265
- 毒性
- LD50 orally in mice: <112 mg/kg; LC50 1 hr for rats: 5-6 ppm (Hite)
- risk_code
- 34
- 消防法
- 危-4-1-II
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39
- 有毒物質データの
- 421-20-5(Hazardous Substances Data)
化学と産業
用途と製造
応用分野
使用In organic synthesis as methylating agent.
上流・下流製品情報
上流原料
下流製品
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関連反応
関連ノート
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