Methyl fluorosulfate

HCID 9870CAS 421-20-5

Basic information

Standard SMILES
COS(=O)(=O)F
InChIKey
MBXNQZHITVCSLJ-UHFFFAOYSA-N
Molecular formula
CH3FO3S
Average molar mass
114.1 g/mol
Monoisotopic mass
113.97869318

Overview

methylating agent, very toxic; HF & sulfuric acid generated when in contact with water; structure

Names & identifiers

Preferred name
Methyl fluorosulfate
IUPAC
fluorosulfonyloxymethane
English name
Methyl fluorosulfonate
Molecular formula
CH3FO3S
Molecular weight
114.1

Names & synonyms

Methyl fluorosulfateRefChem:817752METHYL FLUOROSULFONATE421-20-5Magic methylMethyl fluorosulphonatefluorosulfonyloxymethanemethylfluorosulfonateMethyl fluorosulphateMethyl fluosulfonatemethyl sulfurofluoridateFluorosulfuric Acid Methyl Ester
Show more names
magicmethylmethylfluorosulfatemethylfluosulfonateMethyl SulfofluoridateMethylfluorosulphonate97%Methyl fluorosulphate 97%
Fluorosulfuric acid, methyl esterN015VFJ94ZMFCD00014721Methyl Fluorosulfonate (stabilized with KF) [for Esterification]CCRIS 1135HSDB 4375EINECS 207-004-3CH3FO3S

Database identifiers

CAS
421-20-5
PubChem CID
9870
DTXSID
DTXSID8073180
UNII
N015VFJ94Z
EC Number
207-004-3
Nikkaji
J53.975I

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
6

Experimental & physicochemical properties

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]

Physicochemical properties

Melting point
-95 ° · -95°
Boiling point
93 °C · 93 °C
Density
1.45 · 1.45
refractive index
20 · nD20 1.3326
Flash point
10 ℃ · 10℃
form
liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazards Summary · 1 item

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%)

Safety & protection

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

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.

Toxicology

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

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 item

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 items

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

Safety data

rtecs
LP0720000
ridadr
3265
Toxicity
LD50 orally in mice: <112 mg/kg; LC50 1 hr for rats: 5-6 ppm (Hite)
risk_code
34
Signal word
Danger
Symbol(GHS)
GHS05,GHS06,GHS02

Chemistry & industry

Uses & manufacturing

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

Applications

UsesIn organic synthesis as methylating agent.

Suppliers38 total

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]

Related reactions

119 records

Linked notes

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