Basic information
- Name:
Benzene,2-(bromomethyl)-1,3-dimethyl-
- Superlist Name:
- 2,6-Dimethylbenzyl bromide
- CAS No.:
83902-02-7
- Molecular Structure:
- Formula:
- C9H11Br
- Molecular Weight:
- 199.09
- Synonyms:
- 2,6-Dimethylbenzylbromide;2-(Bromomethyl)-1,3-dimethylbenzene;
- Density:
- 1.314 g/cm3
- Boiling Point:
- 237.842 °C at 760 mmHg
- Flash Point:
- 103.527 °C
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Specification
The Benzene,2-(bromomethyl)-1,3-dimethyl-, with the CAS registry number 83902-02-7, is also known as 2,6-Dimethylbenzylbromide. It belongs to the product category of Halometyl. This chemical's molecular formula is C9H11Br and molecular weight is 199.09. What's more, its systematic name is 2-(bromomethyl)-1,3-dimethylbenzene.
Physical properties of Benzene,2-(bromomethyl)-1,3-dimethyl- are: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 487; (6)ACD/BCF (pH 7.4): 487; (7)ACD/KOC (pH 5.5): 2921; (8)ACD/KOC (pH 7.4): 2921; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 48.551 cm3; (14)Molar Volume: 151.476 cm3; (15)Polarizability: 19.247×10-24cm3; (16)Surface Tension: 36.184 dyne/cm; (17)Density: 1.314 g/cm3; (18)Flash Point: 103.527 °C; (19)Enthalpy of Vaporization: 45.543 kJ/mol; (20)Boiling Point: 237.842 °C at 760 mmHg; (21)Vapour Pressure: 0.067 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(C)c1CBr
(2)Std. InChI: InChI=1S/C9H11Br/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,6H2,1-2H3
(3)Std. InChIKey: PSRARXVEBZQEML-UHFFFAOYSA-N
