CAS No.827-24-7,2-BROMO-4-METHYL-6-NITROANILINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	827-24-7
Name:	2-BROMO-4-METHYL-6-NITROANILINE
Article Data:	22

Formula:	C₇H₇BrN₂O₂
Molecular Weight:	231.049
Synonyms:	p-Toluidine,2-bromo-6-nitro- (7CI,8CI);(2-Bromo-4-methyl-6-nitrophenyl)amine;2-Bromo-4-methyl-6-nitroaniline;Benzenamine, 2-bromo-4-methyl-6-nitro-;
Density:	1.698 g/cm³
Melting Point:	64-66 °C
Boiling Point:	329.1 °C at 760 mmHg
Flash Point:	152.8 °C
Hazard Symbols:	Xi
PSA:	71.84000
LogP:	3.35230

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Specification

The Benzenamine,2-bromo-4-methyl-6-nitro-, with the CAS registry number 827-24-7, has the systematic name and IUPAC name of 2-bromo-4-methyl-6-nitroaniline. It belongs to the following product categories: Amines; Blocks; Bromides. And the molecular formula of the chemical is C₇H₇BrN₂O₂.

The characteristics of Benzenamine,2-bromo-4-methyl-6-nitro- are as followings: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 207.56; (6)ACD/BCF (pH 7.4): 207.56; (7)ACD/KOC (pH 5.5): 1585.68; (8)ACD/KOC (pH 7.4): 1585.68; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å²; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 49.54 cm³; (15)Molar Volume: 136 cm³; (16)Polarizability: 19.64×10^-24cm³; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.698 g/cm³; (19)Flash Point: 152.8 °C; (20)Enthalpy of Vaporization: 57.16 kJ/mol; (21)Boiling Point: 329.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000181 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc(cc([N+]([O-])=O)c1N)C
(2)InChI: InChI=1/C7H7BrN2O2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,9H2,1H3
(3)InChIKey: VFPKZASVVCBVMG-UHFFFAOYAN