3-Bromo-N1-methylbenzene-1,2-diamine supplier

Name
3-broMo-1-N-Methylbenzene-1,2-diaMine
EINECS
CAS No. 1150617-55-2
Article Data5
CAS DataBase
Density 1.579 g/cm³
Solubility
Melting Point
Formula C₇H₉BrN₂
Boiling Point 290.046 °C at 760 mmHg
Molecular Weight 201.066
Flash Point 129.215 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-broMo-1-N-Methylbenzene-1,2-diaMine;2-Bromo-6-(methylamino)aniline, 3-Bromo-N1-methylphenylene-1,2-diamine;3-Bromo-N1-methylbenzene-1,2-diamine
PSA 38.05000
LogP 2.72720

3-Bromo-N1-methylbenzene-1,2-diamine Specification

The 3-Bromo-N1-methylbenzene-1, 2-diamine, with the CAS registry number 1150617-55-2, is also known as (2-Amino-3-bromophenyl)methylamine. This chemical's molecular formula is C₇H₉BrN₂ and molecular weight is 201.0638. What's more, its systematic name is 3-Bromo-N1-methyl-benzene-1, 2-diamine.

Physical properties about 3-Bromo-N1-methylbenzene-1, 2-diamine are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.018; (4)ACD/LogD (pH 7.4): 2.049; (5)ACD/BCF (pH 5.5): 19.787; (6)ACD/BCF (pH 7.4): 21.248; (7)ACD/KOC (pH 5.5): 288.832; (8)ACD/KOC (pH 7.4): 310.172; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.05 Å²; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 47.789 cm³; (15)Molar Volume: 127.355 cm³; (16)Polarizability: 18.945×10^-24 cm³; (17)Surface Tension: 52.306 dyne/cm; (18)Density: 1.579 g/cm³; (19)Flash Point: 129.215 °C; (20)Enthalpy of Vaporization: 52.939 kJ/mol; (21)Boiling Point: 290.046 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CNc1cccc(c1N)Br
(2) InChI: InChI=1/C7H9BrN2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,10H,9H2,1H3
(3) InChIKey: JHGCZHMBYJRENB-UHFFFAOYAY

Product Name

3-broMo-1-N-Methylbenzene-1,2-diaMine

3-Bromo-N1-methylbenzene-1,2-diamine Specification

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