Grundinformationen
- Standard-SMILES
COS(=O)(=O)F- InChIKey
MBXNQZHITVCSLJ-UHFFFAOYSA-N- Summenformel
- CH3FO3S
- Durchschnittliche Molmasse
- 114,1 g/mol
- Monoisotopische Masse
- 113,97869318
Überblick
methylating agent, very toxic; HF & sulfuric acid generated when in contact with water; structure
Namen und Bezeichner
- Bevorzugter Name
- Methyl fluorosulfate
- IUPAC
- fluorosulfonyloxymethane
- Lokaler Name
- Methylfluorsulfat
- Englischer Name
- Methyl fluorosulfonate
- Summenformel
- CH3FO3S
- Molmasse
- 114.1
Namen und Synonyme
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Datenbank-Bezeichner
- CAS
421-20-5- PubChem CID
- 9870
- DTXSID
DTXSID8073180- UNII
- N015VFJ94Z
- EC Number
- 207-004-3
- Nikkaji
- J53.975I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 51,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 107
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- -95 ° · -95°
- Siedepunkt
- 93 °C · 93 °C
- Dichte
- 1.45 · 1.45
- Brechungsindex
- 20 · nD20 1.3326
- Flammpunkt
- 10 ℃ · 10℃
- Aggregatzustand
- liquid
- Merck
- 6075 · 6075
- CAS Datenbank
- 421 · 421-20-5(CAS DataBase Reference)
- EPA chemische Informationen
- Fluorosulfuric acid, methyl ester (421-20-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
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]
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
0.0021 [ppm]
0.023 [ppm]
0.14 [ppm]
Toxikologische Informationen
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.
Sicherheitsdaten
- ridadr
- 3265
- RTECS-Nr.
- LP0720000
- risk_code
- 34
- Toxizität
- LD50 orally in mice: <112 mg/kg; LC50 1 hr for rats: 5-6 ppm (Hite)
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39
- Giftige Stoffe Daten
- 421-20-5(Hazardous Substances Data)
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenIn organic synthesis as methylating agent.
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