N-(2-bromoethyl)methanesulfonamide

HCID 285330

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Basic information

CAS: 63132-74-1
Standard SMILES: CS(=O)(=O)NCCBr
InChIKey: BXVCFLARGCBLEP-UHFFFAOYSA-N
Molecular formula: C3H8BrNO2S
Average molar mass: 202.07 g/mol
Monoisotopic mass: 200.94591

Names & identifiers

Preferred name: N-(2-bromoethyl)methanesulfonamide
IUPAC: N-(2-bromoethyl)methanesulfonamide
English name: N-(2-bromoethyl)methanesulfonamide
Molecular formula: C3H8BrNO2S
Molecular weight: 202.07

Names & synonyms

N-(2-bromoethyl)methanesulfonamideDTXSID60301282RefChem:825093DTXCID50252416822-472-463132-74-1MFCD00463911methanesulfonamide, n-(2-bromoethyl)-NSC142180Br(CH2)2NHSO2CH3SCHEMBL3441994BXVCFLARGCBLEP-UHFFFAOYSA-N

Show more names

MethanesulfonaMide,N-(2-broMoethyl)-

(2-bromoethyl)(methylsulfonyl)amineN-(2-bromoethyl)methanesulphonamideSTK366146AKOS005443061NSC-142180BS-12869SY035848DB-320200

Database identifiers

CAS: 63132-74-1
PubChem CID: 285330
DTXSID: DTXSID60301282
EC Number: 822-472-4

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 47 · 47-49 °C
Boiling point: 263.1 · 263.1±42.0 °C(Predicted)
Density: 1.668 · 1.668±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 9.83 · 9.83±0.40(Predicted)
Appearance: Off-white to light brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 332 · H332-H302-H335-H319-H312-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H332-H302-H335-H319-H312-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312