CAS 103-31-1 4-(2-Phenylethenyl)pyridine (HCID 101576)

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Basic information

CAS: 103-31-1
Standard SMILES: C(=Cc1ccncc1)c1ccccc1
InChIKey: QKHRGPYNTXRMSL-UHFFFAOYSA-N
Molecular formula: C13H11N
Average molar mass: 181.23 g/mol
Monoisotopic mass: 181.08914936

Names & identifiers

Preferred name: 4-(2-Phenylethenyl)pyridine
IUPAC: 4-(2-phenylethenyl)pyridine
English name: 4-Styrylpyridine
Molecular formula: C13H11N
Molecular weight: 181.23

Names & synonyms

4-(2-phenylethenyl)pyridineMaybridge1_004078SCHEMBL1878225CHEMBL3182986SCHEMBL163985964-(2-Phenylethen-1-yl)pyridineAKOS028108471PD014336(E)-4-styrylpyridineAKOS 903004-STILBAZOLE4-STYRYLPYRIDINE

Show more names

4-Styrylpyridine>4-(2-Phenylethenyl)pyridinePyridine, 4-(2-phenylethenyl)-4-[(E)-2-Phenylethenyl]pyridine4-(2-Phenylethenyl)pyridine, 4-Stilbazole, 4-Styrylpyridine

Database identifiers

CAS: 103-31-1
PubChem CID: 101576
DTXSID: DTXSID7046255
ChEMBL: CHEMBL3182986

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 131 °C · 131 °C
Boiling point: 208 · 208-210 °C(Press: 33 Torr)
Density: 1.092 · 1.092±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: powder to crystal
pka: 5.87 · 5.87±0.10(Predicted)
color: White to Gray to Brown
CAS DataBase Reference: 103 · 103-31-1(CAS DataBase Reference)
FDA UNII: 9282 V2UV3 · W9282V2UV3
EPA Substance Registry System: 4 · Pyridine, 4-(2-phenylethenyl)- (103-31-1)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H315-H318
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Risk Statements: 36 · 36/37/38

Safety & regulation

Safety data

tsca: TSCA listed
hs_code: 2933399990
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS07,GHS05
safety_code: 26-36
Hazard statements: H335-H315-H318
Precautionary statements: P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362