3-Bromo-N-methyl-2-nitrobenzenamine supplier

Name
BenzenaMine, 3-broMo-N-Methyl-2-nitro-
EINECS
CAS No. 1150617-53-0
Article Data5
CAS DataBase
Density 1.688 g/cm³
Solubility
Melting Point
Formula C₇H₇BrN₂O₂
Boiling Point 298.115 °C at 760 mmHg
Molecular Weight 231.049
Flash Point 134.096 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-N-methyl-2-nitro-aniline;
PSA 57.85000
LogP 2.99520

3-Bromo-N-methyl-2-nitrobenzenamine Specification

The 3-Bromo-N-methyl-2-nitrobenzenamine, with the CAS registry number 1150617-53-0, is also known as (3-Bromo-2-nitrophenyl)methylamine. This chemical's molecular formula is C₇H₇BrN₂O₂ and molecular weight is 231.0467. What's more, its systematic name is 3-Bromo-N-methyl-2-nitro-aniline.

Physical properties about 3-Bromo-N-methyl-2-nitrobenzenamine are: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.337; (4)ACD/LogD (pH 7.4): 3.337; (5)ACD/BCF (pH 5.5): 202.223; (6)ACD/BCF (pH 7.4): 202.223; (7)ACD/KOC (pH 5.5): 1556.396; (8)ACD/KOC (pH 7.4): 1556.396; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.85 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 50.098 cm³; (15)Molar Volume: 136.916 cm³; (16)Polarizability: 19.86×10^-24 cm³; (17)Surface Tension: 54.579 dyne/cm; (18)Density: 1.688 g/cm³; (19)Flash Point: 134.096 °C; (20)Enthalpy of Vaporization: 53.801 kJ/mol; (21)Boiling Point: 298.115 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CNc1cccc(c1[N+](=O)[O-])Br
(2) InChI: InChI=1/C7H7BrN2O2/c1-9-6-4-2-3-5(8)7(6)10(11)12/h2-4,9H,1H3
(3) InChIKey: CSEVRXHXBSVRQN-UHFFFAOYAE

Product Name

BenzenaMine, 3-broMo-N-Methyl-2-nitro-

3-Bromo-N-methyl-2-nitrobenzenamine Specification

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