CAS No.337915-79-4,1,2-BENZENEDIAMINE, 4-BROMO-N2-METHYL- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	337915-79-4
Name:	1,2-BENZENEDIAMINE, 4-BROMO-N2-METHYL-
Article Data:	36

Formula:	C₇H₉BrN₂
Molecular Weight:	201.066
Synonyms:	4-Bromo-2-methylaminoaniline;
Density:	1.578g/cm³
Boiling Point:	289 °C at 760 mmHg
Flash Point:	128.6 °C
PSA:	38.05000
LogP:	2.72720

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Specification

The 4-Bromo-2-methylaminoaniline, with CAS registry number 337915-79-4, has the systematic name of 4-bromo-N2-methylbenzene-1,2-diamine. Besides this, it is also called 1,2-Benzenediamine, 4-bromo-n2-methyl-. And the chemical formula of this chemical is C₇H₉BrN₂.

Physical properties of 4-Bromo-2-methylaminoaniline: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 16.13; (6)ACD/BCF (pH 7.4): 26.96; (7)ACD/KOC (pH 5.5): 219.59; (8)ACD/KOC (pH 7.4): 366.96; (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: 1.673; (14)Molar Refractivity: 47.78 cm³; (15)Molar Volume: 127.3 cm³; (16)Polarizability: 18.94×10^-24cm³; (17)Surface Tension: 52.3 dyne/cm; (18)Density: 1.578 g/cm³; (19)Flash Point: 128.6 °C; (20)Enthalpy of Vaporization: 52.83 kJ/mol; (21)Boiling Point: 289 °C at 760 mmHg; (22)Vapour Pressure: 0.00225 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc(Br)cc1NC
(2)InChI: InChI=1/C7H9BrN2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,10H,9H2,1H3
(3)InChIKey: WQNHSCZQLLEPOM-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H9BrN2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,10H,9H2,1H3
(5)Std. InChIKey: WQNHSCZQLLEPOM-UHFFFAOYSA-N