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CAS No.: | 302800-13-1 |
---|---|
Name: | (5-Bromo-2-nitro-phenyl)-methyl-amine |
Article Data: | 45 |
Molecular Structure: | |
Formula: | C7H7BrN2O2 |
Molecular Weight: | 231.049 |
Synonyms: | 4-Bromo-2-methylamino-1-nitrobenzene;N-(5-Bromo-2-nitrophenyl)-N-methylamine;N-Methyl-(5-bromo-2-nitrophenyl)amine;N-Methyl-N-(5-bromo-2-nitrophenyl)amine; |
Density: | 1.688 g/cm3 |
Boiling Point: | 327.509 °C at 760 mmHg |
Flash Point: | 151.872 °C |
PSA: | 57.85000 |
LogP: | 2.99520 |
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The Benzenamine, 5-bromo-N-methyl-2-nitro-, with the CAS registry number 302800-13-1, is also known as (5-Bromo-2-nitro-phenyl)-methyl-amine. This chemical's molecular formula is C7H7BrN2O2 and molecular weight is 231.05. What's more, both its IUPAC name and systematic name are the same which is called 5-Bromo-N-methyl-2-nitroaniline.
Physical properties about Benzenamine, 5-bromo-N-methyl-2-nitro- are: (1)ACD/LogP: 3.217; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 163.94; (6)ACD/BCF (pH 7.4): 163.94; (7)ACD/KOC (pH 5.5): 1339.29; (8)ACD/KOC (pH 7.4): 1339.29; (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: 19.86×10-24cm3; (17)Surface Tension: 54.579 dyne/cm; (18)Density: 1.688 g/cm3; (19)Flash Point: 151.872 °C; (20)Enthalpy of Vaporization: 56.981 kJ/mol; (21)Boiling Point: 327.509 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1c(cc(Br)cc1)NC
(2) InChI: InChI=1S/C7H7BrN2O2/c1-9-6-4-5(8)2-3-7(6)10(11)12/h2-4,9H,1H3
(3) InChIKey: FTVGSRGPTYFWRQ-UHFFFAOYSA-N