4-Ethenylbenzonitrile

HCID 76967

Notes Reactions

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Basic information

CAS: 3435-51-6
Standard SMILES: C=Cc1ccc(C#N)cc1
InChIKey: SNTUCKQYWGHZPK-UHFFFAOYSA-N
Molecular formula: C9H7N
Average molar mass: 129.16 g/mol
Monoisotopic mass: 129.05784922

Names & identifiers

Preferred name: 4-Ethenylbenzonitrile
IUPAC: 4-ethenylbenzonitrile
English name: 4-Cyanostyrene
Molecular formula: C9H7N
Molecular weight: 129.16

Names & synonyms

4-EthenylbenzonitrileRefChem:5225684-Cyanostyrene3435-51-64-VinylbenzonitrileBenzonitrile, 4-ethenyl-p-CyanostyreneBenzonitrile, p-vinyl-MFCD000804454-vinyl-benzonitrile4-Cyanostyrene, AldrichCPRSCHEMBL127502

Show more names

PARA-CYANOSTYRENE4-CYANOSTYRENE 95%4-Cyanostyrene ,95%4-ethenyl-benzonitril

SCHEMBL13333326DTXSID60187922AKOS025116713AS-56582D7698924936-57-0p-Vinylbenzonitrile4-vinylbenzenecarbonitrile

Database identifiers

CAS: 3435-51-6
PubChem CID: 76967
DTXSID: DTXSID60187922
EC Number: 678-723-1
Nikkaji: J330.022F

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 155

Physicochemical properties

Boiling point: 56 · 56-58 °C (10 mmHg)
Density: 1.0746 · 1.0746 (rough estimate)
refractive index: 1.5765 · 1.5765-1.5785
Flash point: 92 · 92-93°C/3mm
storage temp.: Freezer (-20°C)
form: Liquid
color: Clear colorless to very slightly yellow
Water Solubility: Immiscible with water.
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: T
Risk Statements: 23 · 23/24/25-36/37/38-23-21/22
Safety Statements: 45 · 45-36/37-26
RIDADR: 3276 · 3276
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29269090 · 29269090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (85.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

ridadr: 3276
hs_code: 29269090
risk_code: 23/24/25-36/37/38-23-21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
safety_code: 45-36/37-26
hazard_class: 6.1
packing_group: III
Hazard statements: H302-H312-H315-H319-H332-H335
Precautionary statements: P261-P280-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses4-Cyanostyrene is used as an intermediate in organic synthesis. It is used in the preparation of poly(4-cyanostyrene) polymer , which is a macromolecular device having nanoscale order and finds a wide range of potential applications.