4-[(E)-2-Phenylethenyl]benzonitrile

HCID 609608

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Basic information

CAS: 13041-79-7
Standard SMILES: N#Cc1ccc(C=Cc2ccccc2)cc1
InChIKey: WQUHPLQCUQJSQW-UHFFFAOYSA-N
Molecular formula: C15H11N
Average molar mass: 205.25 g/mol
Monoisotopic mass: 205.08914936

Names & identifiers

Preferred name: 4-[(E)-2-Phenylethenyl]benzonitrile
IUPAC: 4-(2-phenylethenyl)benzonitrile
English name: 4-Cyanostilbene
Molecular formula: C15H11N
Molecular weight: 205.26

Names & synonyms

4-[(E)-2-Phenylethenyl]benzonitrile4-(2-phenylethenyl)benzonitrileSCHEMBL7002374-styrylbenzonitrile4-stilbene-carbonitrileWQUHPLQCUQJSQW-UHFFFAOYSA-N4-(2-Phenylethen-1-yl)benzonitrileC20464-Cyanostilbene(E)-4-Cyanostilbene4-Cyanostilbene >trans-4-CyanostilbeneSTILBENE-4-CARBONITRILE

Show more names

(E)-4-Styrylbenzonitrile4-[(E)-Styryl]benzonitrile(E)-Stilbene-4-carbonitrile(E)-1-cyano-4-styryl-benzene

Database identifiers

CAS: 13041-79-7
PubChem CID: 609608
DTXSID: DTXSID40346095

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 269

Physicochemical properties

Melting point: 117 °C · 117 °C
Boiling point: 367.1 · 367.1±22.0 °C(Predicted)
Density: 1.1 · 1.10±0.1 g/cm3(Predicted)
solubility: soluble in Toluene
form: powder to crystal
color: White to Light yellow to Light orange
Symbol(GHS): 6 · GHS06,GHS07
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H315-H319
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
RIDADR: 3439 · 3439
HS Code: 2926.9 · 2926.90.4801
HazardClass: 6.1 · 6.1
PackingGroup: III

Safety & regulation

Safety data

ridadr: 3439
hs_code: 2926.90.4801
Signal word: Danger
Symbol(GHS): GHS06,GHS07
hazard_class: 6.1
packing_group: III
Hazard statements: H301+H311+H331-H315-H319
Precautionary statements: P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501