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102236-50-0

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Basic Information
CAS No.: 102236-50-0
Name: 2-BROMO-3,4,6-TRIMETHYLANILINE
Article Data: 2
Molecular Structure:
Molecular Structure of 102236-50-0 (2-BROMO-3,4,6-TRIMETHYLANILINE)
Formula: C9H12BrN
Molecular Weight: 214.105
Synonyms: Aniline,2-bromo-3,4,6-trimethyl- (6CI);NSC 154609;2-Bromo-3,4,6-trimethylaniline;
Density: 1.366 g/cm3
Boiling Point: 281.6 °C at 760 mmHg
Flash Point: 124.1 °C
PSA: 26.02000
LogP: 3.53770
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Specification

The Benzenamine,2-bromo-3,4,6-trimethyl-, with the CAS registry number 102236-50-0, is also known as Aniline,2-bromo-3,4,6-trimethyl- (6CI). This chemical's molecular formula is C9H12BrN and molecular weight is 214.1. What's more, its systematic name is 2-bromo-3,4,6-trimethylaniline.

Physical properties of Benzenamine,2-bromo-3,4,6-trimethyl- are: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.586; (8)Molar Refractivity: 52.65 cm3; (9)Molar Volume: 156.7 cm3; (10)Polarizability: 20.87×10-24cm3; (11)Surface Tension: 40.9 dyne/cm; (12)Density: 1.366 g/cm3; (13)Flash Point: 124.1 °C; (14)Enthalpy of Vaporization: 52.04 kJ/mol; (15)Boiling Point: 281.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00352 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(c(cc(c1N)C)C)C
(2)InChI: InChI=1S/C9H12BrN/c1-5-4-6(2)9(11)8(10)7(5)3/h4H,11H2,1-3H3
(3)InChIKey: UMIDFBDPMOPWDY-UHFFFAOYSA-N