フルオロスルホン酸 メチル

Methyl fluorosulfate

HCID 9870CAS 421-20-5

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

Methyl fluorosulfateRefChem:817752METHYL FLUOROSULFONATE421-20-5Magic methylMethyl fluorosulphonatefluorosulfonyloxymethanemethylfluorosulfonateMethyl fluorosulphateMethyl fluosulfonatemethyl sulfurofluoridateFluorosulfuric Acid Methyl Ester
名称をさらに表示
フルオロスルホン酸 メチルフルオリド硫酸メチルマジックメチルフルオロ硫酸メチルフルオロスルホン酸メチルメチル スルフロフルオリダートmagicmethylmethylfluorosulfatemethylfluosulfonateMethyl SulfofluoridateMethylfluorosulphonate97%Methyl fluorosulphate 97%
Fluorosulfuric acid, methyl esterN015VFJ94ZMFCD00014721Methyl Fluorosulfonate (stabilized with KF) [for Esterification]CCRIS 1135HSDB 4375EINECS 207-004-3CH3FO3S

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

実験および物理化学的性質

Chemical ClassesOther Classes -> Other Organic Compounds
SpringerMaterials PropertiesSchoenflies notation
Density1.427 @ 16°C
Boiling Point92 °C @760 [mm Hg]
Physical DescriptionColorless liquid with an ethereal odor; [Hawley] Cloudy colorless or yellow liquid; [MSDSonline]

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

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 · 4 件

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 · 1 件

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]

Highly Hazardous SubstanceChemical: Methyl Fluorosulfate
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全と保護具

Preventive MeasuresMETHYL FLUOROSULFATE SHOULD BE ASSUMED TO BE EXTREMELY TOXIC & SHOULD ALWAYS BE HANDLED WITH SUITABLE PRECAUTIONS.
Protective Action Criteria (PAC) · 3 件

0.0021 [ppm]

0.023 [ppm]

0.14 [ppm]

Personal Protective Equipment (PPE)THIS COMPD IS A POTENTIAL CARCINOGEN. IT SHOULD BE HANDLED WITH GLOVES & WITH EFFICIENT FUME-CUPBOARD PROTECTION.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity Excerpts · 4 件

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 · 1 件

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 · 2 件

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.

Toxicity DataLC50 (rat) = 5 ppm/1h

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

化学と産業

用途と製造

UsesUsed as methylating agent in organic synthesis; [Merck Index]

応用分野

使用In organic synthesis as methylating agent.

サプライヤー38 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Aladdin Scientific[email protected]

関連反応

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