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645-49-8

Basic Information
CAS No.: 645-49-8
Name: Benzene,1,1'-(1Z)-1,2-ethenediylbis-
Article Data: 1063
Cas Database
Molecular Structure:
Molecular Structure of 645-49-8 (Benzene,1,1'-(1Z)-1,2-ethenediylbis-)
Formula: C14H12
Molecular Weight: 180.249
Synonyms: 1,1'-(Z)-Ethene-1,2-diyldibenzene;1,1'-(Z)-Ethen-1,2-diyldibenzol;cis-Stilbene;Stilbene, (Z)-;Stilbene, (Z)- (8CI);(Z)-1,2-Diphenylethylene;(Z)-1,1'-(1,2-Ethenediyl)bisbenzene;
EINECS: 211-445-7
Density: 1.044 g/cm3
Melting Point: -5°C
Boiling Point: 307 °C at 760 mmHg
Flash Point: 128.5 °C
Solubility: N/A
Appearance: Pale yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/38
Safety: 26-36
Transport Information: N/A
PSA: 0.00000
LogP: 3.85700
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Specification

The Benzene,1,1'-(1Z)-1,2-ethenediylbis-, with the CAS registry number 645-49-8, is also known as 1,1'-(Z)-Ethene-1,2-diyldibenzene. It belongs to the product categories of Stilbenes (substituted); Stilbenes. Its EINECS number is 211-445-7. This chemical's molecular formula is C14H12 and molecular weight is 180.25. What's more, its IUPAC name is (Z)-stilbene.

Physical properties of Benzene,1,1'-(1Z)-1,2-ethenediylbis- are: (1)ACD/LogP: 4.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.83; (4)ACD/LogD (pH 7.4): 4.83; (5)ACD/BCF (pH 5.5): 2773.68; (6)ACD/BCF (pH 7.4): 2773.68; (7)ACD/KOC (pH 5.5): 10142.25; (8)ACD/KOC (pH 7.4): 10142.25; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 63.64 cm3; (15)Molar Volume: 172.6 cm3; (16)Polarizability: 25.23×10-24cm3; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.044 g/cm3; (19)Flash Point: 128.5 °C; (20)Enthalpy of Vaporization: 52.57 kJ/mol; (21)Boiling Point: 307 °C at 760 mmHg; (22)Vapour Pressure: 0.00135 mmHg at 25°C.

Preparation: this chemical can be prepared by vinylbenzene and bromobenzene at the temperature of 130°C. This reaction will need reagent K2CO3 with the reaction time of 24 hours. This reaction will also need catalyst hydroxyapatite-bound palladium complex. The yield is about 94%.

Benzene,1,1'-(1Z)-1,2-ethenediylbis- can be prepared by vinylbenzene and bromobenzene at the temperature of 130°C

Uses of Benzene,1,1'-(1Z)-1,2-ethenediylbis-: it can be used to produce benzaldehyde at the ambient temperature. It will need reagents KMnO4, acetic acid and solvent CH2Cl2 with the reaction time of 9 hours. This reaction will also need catalyst tris<2-(2-methoxyethoxy)ethyl>amine. The yield is about 83%.

Benzene,1,1'-(1Z)-1,2-ethenediylbis- can be used to produce benzaldehyde at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: c2(\C=C/c1ccccc1)ccccc2
(2)Std. InChI: InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11-
(3)Std. InChIKey: PJANXHGTPQOBST-QXMHVHEDSA-N