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| CAS No.: | 4714-24-3 |
|---|---|
| Name: | 4-Bromostilbene |
| Molecular Structure: | |
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| Formula: | C14H11Br |
| Molecular Weight: | 259.145 |
| Synonyms: | Stilbene,4-bromo- (7CI,8CI);p-Bromostilbene; |
| Density: | 1.372 g/cm3 |
| Melting Point: | 140 °C |
| Boiling Point: | 342 °C at 760 mmHg |
| Flash Point: | 159.1 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-52 |
| PSA: | 0.00000 |
| LogP: | 4.61950 |
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Specification
The 4-Bromostilbene is an organic compound with the formula C14H11Br. The systematic name of this chemical is 1-bromo-4-[(E)-2-phenylethenyl]benzene. With the CAS registry number 4714-24-3, it is also named as benzene, 1-bromo-4-(2-phenylethenyl)-. The product's category is Stilbenes. Besides, it should be stored in a closed cool and well-ventilated place.
Physical properties about 4-Bromostilbene are: (1)ACD/LogP: 5.72; (2)# of Rule of 5 Violations: 1; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.679; (5)Molar Refractivity: 71.33 cm3; (6)Molar Volume: 188.8 cm3; (7)Polarizability: 28.28×10-24cm3; (8)Surface Tension: 46.2 dyne/cm; (9)Density: 1.372 g/cm3; (10)Flash Point: 159.1 °C; (11)Enthalpy of Vaporization: 56.25 kJ/mol; (12)Boiling Point: 342 °C at 760 mmHg; (13)Vapour Pressure: 0.000153 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(/C=C/c1ccccc1)cc2
(2)InChI: InChI=1/C14H11Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
(3)InChIKey: ZZMMKLVIBZWGPK-VOTSOKGWBX
(4)Std. InChI: InChI=1S/C14H11Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
(5)Std. InChIKey: ZZMMKLVIBZWGPK-VOTSOKGWSA-N