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112299-62-4

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Basic Information
CAS No.: 112299-62-4
Name: 1-Bromo-3-(bromomethyl)-2-methylBenzene
Article Data: 19
Molecular Structure:
Molecular Structure of 112299-62-4 (1-Bromo-3-(bromomethyl)-2-methylBenzene)
Formula: C8H8Br2
Molecular Weight: 263.96
Synonyms: LogP
Density: 1.744 g/cm3
Melting Point: 31-32℃
Boiling Point: 278.749 °C at 760 mmHg
Flash Point: 138.465 °C
PSA: 0.00000
LogP: 3.65240
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Specification

This chemical is called 1-Bromo-3-(bromomethyl)-2-methylBenzene, and it's also named as 1-Bromo-2-methyl-3-(bromomethyl)benzene. With the molecular formula of C8H8Br2, its molecular weight is 263.96. The CAS registry number of this chemical is 112299-62-4.

Other characteristics of the 1-Bromo-3-(bromomethyl)-2-methylBenzene can be summarised as followings: (1)ACD/LogP: 4.02; (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): 841; (6)ACD/BCF (pH 7.4): 841; (7)ACD/KOC (pH 5.5): 4316; (8)ACD/KOC (pH 7.4): 4316; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.595; (13)Molar Refractivity: 51.416 cm3; (14)Molar Volume: 151.386 cm3; (15)Polarizability: 20.383×10-24cm3; (16)Surface Tension: 41.556 dyne/cm; (17)Density: 1.744 g/cm3; (18)Flash Point: 138.465 °C; (19)Enthalpy of Vaporization: 49.659 kJ/mol; (20)Boiling Point: 278.749 °C at 760 mmHg; (21)Vapour Pressure: 0.007 mmHg at 25°C.

You can still convert the following datas into molecular structure:  
1.SMILES: Cc1c(CBr)cccc1Br
2.InChI: InChI=1/C8H8Br2/c1-6-7(5-9)3-2-4-8(6)10/h2-4H,5H2,1H3
3.InChIKey: XVLACHXVYBTTPW-UHFFFAOYAF