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Basic Information
CAS No.: 4761-00-6
Name: 2-(BROMOMETHYL)-1,3,5-TRIMETHYLBENZENE
Article Data: 19
Molecular Structure:
Molecular Structure of 4761-00-6 (2-(BROMOMETHYL)-1,3,5-TRIMETHYLBENZENE)
Formula: C10H13Br
Molecular Weight: 213.117
Synonyms: 1-(Bromomethyl)-2,4,6-trimethylbenzene;2,4,6-Trimethylbenzyl bromide;2-(Bromomethyl)mesitylene;Mesitylmethylbromide;Mono(bromomethyl)mesitylene;NSC 31898;
Density: 1.27 g/cm3
Melting Point: 50-51 °C
Boiling Point: 256.9 °C at 760 mmHg
Flash Point: 113.2 °C
PSA: 0.00000
LogP: 3.50670
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Specification

The Benzene, 2-(bromomethyl)-1, 3, 5-trimethyl-, with the CAS registry number 4761-00-6, is also known as 1-(Bromomethyl)-2, 4, 6-trimethylbenzene. This chemical's molecular formula is C10H13Br and molecular weight is 213.1142. What's more, its IUPAC name is 2-(Bromomethyl)-1, 3, 5-trimethylbenzene.

Physical properties about Benzene, 2-(bromomethyl)-1, 3, 5-trimethyl- are: (1)ACD/LogP: 4.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 53.37 cm3; (9)Molar Volume: 167.7 cm3; (10)Polarizability: 21.15×10-24 cm3; (11)Surface Tension: 35.3 dyne/cm; (12)Density: 1.27 g/cm3; (13)Flash Point: 113.2 °C; (14)Enthalpy of Vaporization: 47.44 kJ/mol; (15)Boiling Point: 256.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0242 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1c(cc(cc1C)C)C
(2) InChI: InChI=1/C10H13Br/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6H2,1-3H3
(3) InChIKey: HIQNEJUMZTWMLW-UHFFFAOYAN