3-Vinylbenzaldehyde

HCID 39390

Notes Reactions

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Basic information

CAS: 19955-99-8
Standard SMILES: C=Cc1cccc(C=O)c1
InChIKey: CATOVPRCMWIZLR-UHFFFAOYSA-N
Molecular formula: C9H8O
Average molar mass: 132.16 g/mol
Monoisotopic mass: 132.05751488

Names & identifiers

Preferred name: 3-Vinylbenzaldehyde
IUPAC: 3-ethenylbenzaldehyde
English name: 3-VINYLBENZALDEHYDE
Molecular formula: C9H8O
Molecular weight: 132.16

Names & synonyms

3-Vinylbenzaldehyde19955-99-8DTXSID20275415RefChem:282825DTXCID50226859628-006-43-ethenylbenzaldehyde3-FormylstyreneBenzaldehyde, 3-ethenyl-MFCD020937613-Vinylbenzaldehyd3-vinyl benzaldehyde

Show more names

3-Vinylbenzaldehyde,95% (stabilized with TBC)

3-vinyl-benzaldehyde3-Vinylbenzaldehyde, 97%SCHEMBL149900SCHEMBL2321474SCHEMBL29937739AKOS015889328AS-58337SY107436

Database identifiers

CAS: 19955-99-8
PubChem CID: 39390
DTXSID: DTXSID20275415
EC Number: 628-006-4
Nikkaji: J93.611A

Properties

Computed structural properties

XLogP: 2.4
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: 129

Physicochemical properties

Boiling point: 102 · 102-103 °C(Press: 11 Torr)
Density: 1.04 g/mL · 1.04 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.58(lit.)
Flash point: 210 °F · 210 °F
storage temp.: 2 · 2-8°C
Appearance: Colorless to off-white Liquid
InChI: 1S/C9H8O/c1-2-8-4-3-5-9(6-8)7-10/h2-7H,1H2
InChIKey: CATOVPRCMWIZLR-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cccc(C=C)c1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 302 · P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses3-Vinylbenzaldehyde may be used in the preparation of:2-(3-vinylphenyl)-1,3-dioxolanevarious substituted iminesmonomer bearing a 2,4,5-triphenylimidazole moietypoly(3-vinylbenzaldehyde-co-dimethylacrylamide) (PVBA-co-PDMA) copolymers

General Description3-Vinylbenzaldehyde (3-VBAL) contains a vinyl group bonded to the aromatic ring of benzaldehyde. Pulsed plasma polymerization of 3-VBAL has been described.