HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl fluorosulfate
magicmethyl · methylfluorosulfate · methylfluosulfonate · methyl fluorosulphate · Methyl Sulfofluoridate · Methyl fluorosulfonate · METHYL FLUOROSULPHONATE · fluorosulfonyloxymethane
Identifiers & Physical Properties
| CAS No. | 421-20-5 |
|---|---|
| Molecular formula | CH3FO3S |
| Average molar mass | 114.1 g/mol |
| Monoisotopic mass | 113.97869318 g/mol |
| SMILES | COS(=O)(=O)F |
| InChIKey | MBXNQZHITVCSLJ-UHFFFAOYSA-N |
| PubChem CID | 9870 |
| EC No. | 207-004-3 |
| DTXSID | DTXSID8073180 |
Chemical & Physical Properties
| XLogP | 0.2 |
|---|---|
| Topological polar surface area | 51.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 6 |
| Formal charge | 0 |
| Complexity | 107 |
| Chemical classes | Other Classes -> Other Organic Compounds |
| SpringerMaterials Properties | Schoenflies notation |
| Density | 1.427 @ 16°C1.45 |
| Boiling point | 92 °C @760 [mm Hg]93 °C |
| Physical Description | Colorless liquid with an ethereal odor[Hawley] Cloudy colorless or yellow liquid[MSDSonline] |
| Melting point | -95° |
| Refractive index | nD20 1.3326 |
| Flash point | 10℃ |
| Physical state | liquid |
| Merck | 6075 |
| CAS DataBase Reference | 421-20-5(CAS DataBase Reference) |
| FDA UNII | N015VFJ94Z |
| EPA Substance Registry System | Fluorosulfuric acid, methyl ester (421-20-5) |
| GHS pictogram | GHS05,GHS06,GHS02 |
| Signal word | Danger |
| GHS hazard statements | H330-H301+H311-H315-H318-H225 |
| GHS precautionary statements | P501-P260-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P361+P364-P303+P361+P353-P332+P313-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405 |
| Hazard symbols | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 26-36/37/39 |
| UN transport number | 3265 |
| RTECS number | LP0720000 |
| Hazard Note | Corrosive |
| Hazardous substances data | 421-20-5(Hazardous Substances Data) |
| Toxicity | LD50 orally in mice: <112 mg/kgLC50 1 hr for rats: 5-6 ppm (Hite) |
Safety & Regulations
| GHS classification | DangerH225 (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. |
|---|---|
| Hazards summary | Extremely toxicMay cause pulmonary edema[Merck Index] Reacts with moisture producing corrosive vaporA strong tissue irritant[Hawley] Evolves hydrofluoric and sulfuric acid on contact with water[ChemIDplus] Corrosive to skin of rabbitsMay cause pulmonary edema and corneal damageEmergency treatment: see Hydrogen fluoride. [HSDB] A mutagenCauses lacrimation and dyspnea in lethal-dose inhalation studies of rats[RTECS] An irritantMay cause serious eye injury[MSDSonline] |
| Highly Hazardous Substance | Chemical: Methyl Fluorosulfate |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Preventive Measures | METHYL FLUOROSULFATE SHOULD BE ASSUMED TO BE EXTREMELY TOXIC & SHOULD ALWAYS BE HANDLED WITH SUITABLE PRECAUTIONS. |
| Protective Action Criteria (PAC) | 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. |
| Adverse effects | Dermatotoxin - Skin burns. |
| 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. |
| Toxicity Data | LC50 (rat) = 5 ppm/1h |
| RTECS number | LP0720000 |
| UN transport number | 3265 |
| Toxicity | LD50 orally in mice: <112 mg/kgLC50 1 hr for rats: 5-6 ppm (Hite) |
| Risk statements (R) | 34 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS06,GHS02 |
| Hazard symbols | C |
| hazard_note | Corrosive |
| Safety statements (S) | 26-36/37/39 |
| GHS hazard statements | H330-H301+H311-H315-H318-H225 |
| GHS precautionary statements | P501-P260-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P361+P364-P303+P361+P353-P332+P313-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405 |
| Hazardous substances data | 421-20-5(Hazardous Substances Data) |
Applications & Uses
Uses
In organic synthesis as methylating agent.