CAS No.125904-11-2,Benzene, ethenyl-, ar-bromo derivs. Suppliers

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Basic Information

Molecular Structure:
CAS No.:	125904-11-2
Name:	Benzene, ethenyl-, ar-bromo derivs.

Formula:	C₈H₇Br
Molecular Weight:	183.05
Synonyms:	1-Bromo-2-vinylbenzene;1-Bromo-2-ethenylbenzene;o-Bromostyrene;
EINECS:	215-617-2
Density:	1.391 g/cm³
Boiling Point:	209.9 °C at 760 mmHg
Flash Point:	83.9 °C

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Specification

The Benzene, ethenyl-,ar-bromo derivs., with the CAS registry number 125904-11-2, is also known as 1-Bromo-2-vinylbenzene. This chemical's molecular formula is C₈H₇Br and molecular weight is 183.05. What's more, its systematic name is 1-bromo-2-ethenylbenzene. Its classification codes are: (1)TSCA Flag E [Subject to the Section 5(e)Consent Order of TSCA]; (2)TSCA Flag P [A commenced PMN (Premanufacture Notice)substance]; (3)TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule)under TSCA]; (4)TSCA UVCB.

Physical properties of Benzene, ethenyl-,ar-bromo derivs. are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.583; (4)ACD/LogD (pH 7.4): 3.583; (5)ACD/BCF (pH 5.5): 311.169; (6)ACD/BCF (pH 7.4): 311.169; (7)ACD/KOC (pH 5.5): 2118.81; (8)ACD/KOC (pH 7.4): 2118.81; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 44.867 cm³; (14)Molar Volume: 131.566 cm³; (15)Polarizability: 17.787×10^-24cm³; (16)Surface Tension: 36.209 dyne/cm; (17)Density: 1.391 g/cm³; (18)Flash Point: 83.932 °C; (19)Enthalpy of Vaporization: 42.796 kJ/mol; (20)Boiling Point: 209.883 °C at 760 mmHg; (21)Vapour Pressure: 0.287 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C=Cc1ccccc1Br
(2)InChI: InChI=1S/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
(3)InChIKey: SSZOCHFYWWVSAI-UHFFFAOYSA-N