2-Fluoroethyl methanesulfonate

HCID 68034CAS 461-31-4

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Basic information

Standard SMILES: CS(=O)(=O)OCCF
InChIKey: DLFIXPTUMHDGCB-UHFFFAOYSA-N
Molecular formula: C3H7FO3S
Average molar mass: 142.15 g/mol
Monoisotopic mass: 142.00999342

Names & identifiers

Preferred name: 2-Fluoroethyl methanesulfonate
IUPAC: 2-fluoroethyl methanesulfonate
English name: Methanesulfonic acid 2-fluoroethyl ester
Molecular formula: C3H7FO3S
Molecular weight: 142.15

Names & synonyms

2-Fluoroethyl methanesulfonateRefChem:472636858-365-4461-31-4Methanesulfonic acid, 2-fluoroethyl esterMethanesulfonic acid 2-fluoroethyl ester2-FluoroethylmethanesulfonateFluoro(mesyloxy)ethaneCB 1522MFCD01715279NSC-52142Ethanol, 2-fluoro-, 1-methanesulfonate

Show more names

2-Fluoroethyl methanesulphonateNSC 52142Ethanol, 2-fluoro-, methanesulfonateBRN 1753795MSW4LJE4JJ1-mesyloxy-2-fluoro ethaneWLN: WS1&O2FCHEMBL17071

Database identifiers

CAS: 461-31-4
PubChem CID: 68034
DTXSID: DTXSID20196717
ChEMBL: CHEMBL17071
UNII: MSW4LJE4JJ
EC Number: 858-365-4
Nikkaji: J62.567A

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 133

Physicochemical properties

Boiling point: 118 · 118-119 °C(Press: 12 Torr)
Density: 1.281 · 1.281±0.06 g/cm3(Predicted)
Symbol(GHS): 8 · GHS08,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H340-H351
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501-P201-P202-P281-P308+P313-P405-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H340 (100%): May cause genetic defects [Danger Germ cell mutagenicity]；H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P264, P270, P280, P301+P316, P318, P321, P330, 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

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Muta. 1B (100%)；Carc. 2 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS08,GHS06
Hazard statements: H301-H340-H351
Precautionary statements: P264-P270-P301+P310-P321-P330-P405-P501-P201-P202-P281-P308+P313-P405-P501