4-Vinylbenzoyl chloride

HCID 11052028

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Basic information

CAS: 1565-41-9
Standard SMILES: C=Cc1ccc(C(=O)Cl)cc1
InChIKey: DGZXVEAMYQEFHB-UHFFFAOYSA-N
Molecular formula: C9H7ClO
Average molar mass: 166.6 g/mol
Monoisotopic mass: 166.01854252

Names & identifiers

Preferred name: 4-Vinylbenzoyl chloride
IUPAC: 4-ethenylbenzoyl chloride
English name: Benzoyl chloride, 4-ethenyl- (9CI)
Molecular formula: C9H7ClO
Molecular weight: 166.6

Names & synonyms

4-Vinylbenzoyl chloride1565-41-9DTXSID10453366RefChem:296663DTXCID004041854-ethenylbenzoyl ChlorideBENZOYL CHLORIDE, 4-ETHENYL-p-vinylbenzoyl chlorideBenzoyl chloride, 4-ethenyl- (9CI)MFCD131737954-vinyl benzoyl chloride4-vinylbenzoic acid chloride

Show more names

BENZOYL CHLORIDE,4-ETHENYL-4-vinylbenzoylchloridep-vinyl benzoyl chloridepara-vinyl benzoyl chloridep-vinyl benzoic acid chlorideSCHEMBL362842DGZXVEAMYQEFHB-UHFFFAOYSA-NSY309088

Database identifiers

CAS: 1565-41-9
PubChem CID: 11052028
DTXSID: DTXSID10453366
Nikkaji: J662.637H

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 157

Physicochemical properties

Boiling point: 78 · 78-81 °C(Press: 0.25 Torr)
Density: 1.174 · 1.174±0.06 g/cm3(Predicted)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H317
Precautionary statements: 260 · P260-P264-P272-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P333+P313-P363-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H314-H317
Precautionary statements: P260-P264-P272-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P333+P313-P363-P405-P501