4-Vinylbenzaldehyde

HCID 39389CAS 1791-26-0

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Basic information

Standard SMILES: C=Cc1ccc(C=O)cc1
InChIKey: QBFNGLBSVFKILI-UHFFFAOYSA-N
Molecular formula: C9H8O
Average molar mass: 132.16 g/mol
Monoisotopic mass: 132.05751488

Overview

4-vinylbenzaldehyde has been reported in Cinnamomum sieboldii with data available.

Names & identifiers

Preferred name: 4-Vinylbenzaldehyde
IUPAC: 4-ethenylbenzaldehyde
English name: 4-Vinyl-benzaldehyde
Molecular formula: C9H8O
Molecular weight: 132.16

Names & synonyms

4-vinylbenzaldehyde4-ethenylbenzaldehyde4-Vinyl-benzaldehyde4-FormylstyreneUNII-76025X541R76025X541RDTXSID70170769RefChem:100579DTXCID5093260829-065-01791-26-0Benzaldehyde, 4-ethenyl-

Show more names

4-Vinylbenzaldehyde，97%TIANFU 1791-26-0 4-VINYL-BENZALDEHYDE

p-formylstyrenep-vinylbenzaldehydeMFCD0008528930029-79-94-vinyl benzaldehydeBenzaldehyde,4-ethenyl4-Vinylbenzaldehyde97%SCHEMBL92255

Database identifiers

CAS: 1791-26-0
PubChem CID: 39389
DTXSID: DTXSID70170769
UNII: 76025X541R
EC Number: 829-065-0
Nikkaji: J93.612J

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 121

Physicochemical properties

Melting point: 129 · 129-131 °C
Boiling point: 92 · 92-93 °C(Press: 14 Torr)
Density: 1.036 g/cm3 · 1.036 g/cm3(Temp: 25 °C)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C9H8O/c1-2-8-3-5-9(7-10)6-4-8/h2-7H,1H2
InChIKey: QBFNGLBSVFKILI-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(C=C)C=C1
FDA UNII: 76025 X541R · 76025X541R
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P203, P210, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.