CAS 4091-26-3 Ethenesulfonyl chloride, 2-phenyl- (HCID 107500)

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Basic information

CAS: 4091-26-3
Standard SMILES: O=S(=O)(Cl)C=Cc1ccccc1
InChIKey: ONWRSBMOCIQLRK-UHFFFAOYSA-N
Molecular formula: C8H7ClO2S
Average molar mass: 202.66 g/mol
Monoisotopic mass: 201.9855283

Names & identifiers

Preferred name: Ethenesulfonyl chloride, 2-phenyl-
IUPAC: 2-phenylethenesulfonyl chloride
English name: beta-Styrene sulfonyl chloride
Molecular formula: C8H7ClO2S
Molecular weight: 202.66

Names & synonyms

Ethenesulfonyl chloride, 2-phenyl-MFCD000074562-phenylethene-1-sulfonyl chlorideStyrylsulfonyl chloridestyrenesulphonyl chloridestyrene sulfonyl chloridestyrene-sulphonyl chlorideStyrene sulphonyl chloridebeta-styrenesulfonylchlorideStyrol-ss-sulfosaurechloridbeta-Styrenesulfonyl chlorideSCHEMBL347859

Show more names

Einecs 223-833-3beta-Styrene sulfonyl chloride2-Phenylethenesulfonyl chloridestyrene-beta-sulphonyl chlorideBETA-VINYLBENZENESULFONYL CHLORIDE(E)-2-Phenylethenesulfonyl chlorideTRANS-BETA-STYRENESULFONYL CHLORIDE2-Phenylethenesulfonic acid chloride[(2-phenylethene)sulfonyl]chloranuide

I(2)-Styrenesulfonyl chloride2-phenylethenylsulfonyl chloride2-phenyl-ethenesulfonyl chlorideSCHEMBL11055577trans-|A-Styrenesulfonyl chlorideONWRSBMOCIQLRK-UHFFFAOYSA-NDTXSID201311123AKOS016879419

Database identifiers

CAS: 4091-26-3
PubChem CID: 107500
DTXSID: DTXSID201311123

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 245

Physicochemical properties

Melting point: 85 · 85-88 °C(lit.)
Boiling point: 322.3 · 322.3±25.0 °C(Predicted)
Density: 1.385 · 1.385±0.06 g/cm3(Predicted)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-27-28-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3

Safety & regulation

Safety data

wgk: 3
ridadr: UN 3261 8/PG 2
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-28-36/37/39-45
Hazard statements: H314
Precautionary statements: P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310