CAS No.76153-06-5,5-BROMO-3-METHYL-BENZENE-1,2-DIAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	76153-06-5
Name:	5-BROMO-3-METHYL-BENZENE-1,2-DIAMINE
Article Data:	13

Formula:	C₇H₉BrN₂
Molecular Weight:	201.066
Synonyms:	2-Amino-5-bromo-3-methylaniline;4-Bromo-6-methyl-1,2-diaminobenzene;5-Bromo-2,3-diaminotoluene;5-Bromo-3-methylbenzene-1,2-diamine;1,2-benzenediamine, 5-bromo-3-methyl-;
Density:	1.589 g/cm³
Melting Point:	63 °C
Boiling Point:	298.8 °C at 760 mmHg
Flash Point:	134.5 °C
PSA:	52.04000
LogP:	3.08430

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Specification

The 5-Bromo-3-methylbenzene-1,2-diamine, with the CAS registry number 76153-06-5, is also called 5-Bromo-3-methyl-1,2-benzenediamine. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C₇H₉BrN₂.

The characteristics of 5-Bromo-3-methylbenzene-1,2-diamine are as followings: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 19.9; (6)ACD/BCF (pH 7.4): 20.13; (7)ACD/KOC (pH 5.5): 295.11; (8)ACD/KOC (pH 7.4): 298.48; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 47.24 cm³; (15)Molar Volume: 126.4 cm³; (16)Polarizability: 18.72×10^-24cm³; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.589 g/cm³; (19)Flash Point: 134.5 °C; (20)Enthalpy of Vaporization: 53.87 kJ/mol; (21)Boiling Point: 298.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00124 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc(c(N)c(N)c1)C
(2)InChI: InChI=1/C7H9BrN2/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,9-10H2,1H3
(3)InChIKey: UOFSLKHZOPVGHG-UHFFFAOYAW