[(Z)-2-phenylethenyl]benzene

• ChemBase ID: 125079
• Molecular Formular: C14H12
• Molecular Mass: 180.24508
• Monoisotopic Mass: 180.09390038
• SMILES: c1(/C=C\c2ccccc2)ccccc1
• Canonical SMILES: c1ccc(cc1)/C=C\c1ccccc1
• InChI: InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11-
• InChIKey: PJANXHGTPQOBST-QXMHVHEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(Z)-2-phenylethenyl]benzene
• IUPAC Traditional name: cis-stilbene
• Synonyms: cis-1,2-Diphenylethylene; Isostilbene; cis-Stilbene; cis-Stilbene; (Z)-Stilbene; (Z)-1,2-Diphenylethene; 异芪; 顺式-1,2-二苯乙烯; 顺-均二苯乙烯; 顺-1,2-二苯乙烯

Database IDs

• CAS Number: 645-49-8
• EC Number: 211-445-7
• MDL Number: MFCD00004788
• Beilstein Number: 1616739
• Merck Index: 148817
• PubChem SID: 24899621; 24888471; 162219429
• PubChem CID: 5356785
• CHEBI ID: 36008
• CHEMBL: 393702
• Chemspider ID: 4512351
• Wikipedia Title: (Z)-Stilbene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.313087
• LogD (pH = 7.4): 4.313087
• Log P: 4.313087
• Molar Refractivity: 61.5128 cm^3
• Polarizability: 23.676533 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Practically insoluble in water
• Apperance: Liquid
• Melting Point: 1-2°C; 5-6 °C
• Boiling Point: 307°C; 82–84 °C at 0.4 mmHg; 82-84 °C/0.4 mmHg(lit.)
• Flash Point: >110°C(230°F); 110 °C; 230 °F
• Density: 1.011 g/mL at 25 °C(lit.); 1.04
• Refractive Index: 1.6220; n20/D 1.622; n20/D 1.622(lit.)

Safety Information

• RTECS: DA0513600
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36; 36/38; R36 R38
• Safety Statements: 26; 26-36; S26 S36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H319
• GHS Precautionary statements: P305 + P351 + P338; P305+P351+P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... ESR1(2099)rat ... Esr1(24890)

Product Information

• Purity: ≥95.0% (GC); 95+%; 96%; 97%
• Grade: technical
• Linear Formula: C6H5CH=CHC6H5

DETAILS

Sigma Aldrich - S4808

Packaging
1, 5, 10 g in glass bottle