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1,3-Benzenediamine,4-chloro-6-methyl-

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Name

1,3-Benzenediamine,4-chloro-6-methyl-

EINECS
CAS No. 43216-72-4 Density 1.281 g/cm3
Solubility Melting Point
Formula C7H9ClN2 Boiling Point 306.9 °C at 760 mmHg
Molecular Weight 156.6128 Flash Point 139.4 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 43216-72-4 (1,3-Benzenediamine,4-chloro-6-methyl-) Hazard Symbols
Synonyms

5-Chloro-2,4-toluenediamine;

 

1,3-Benzenediamine,4-chloro-6-methyl- Specification

The 1, 3-Benzenediamine, 4-chloro-6-methyl-, with the CAS registry number of 43216-72-4, is also known as 5-Chloro-2, 4-toluenediamine. This chemical's molecular formula is C7H9ClN2 and molecular weight is 156.6128. What's more, its IUPAC name is 4-Chloro-6-methylbenzene-1, 3-diamine.

Physical properties about 1, 3-Benzenediamine, 4-chloro-6-methyl- are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.34; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 6.13; (6)ACD/BCF (pH 7.4): 6.27; (7)ACD/KOC (pH 5.5): 126.54; (8)ACD/KOC (pH 7.4): 129.5; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 44.44 cm3; (15)Molar Volume: 122.2 cm3; (16)Surface Tension: 54.7 dyne/cm; (17)Density: 1.281 g/cm3; (18)Flash Point: 139.4 °C; (19)Enthalpy of Vaporization: 54.74 kJ/mol; (20)Boiling Point: 306.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000751 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(c(N)cc1N)C
(2) InChI: InChI=1/C7H9ClN2/c1-4-2-5(8)7(10)3-6(4)9/h2-3H,9-10H2,1H3
(3) InChIKey: MYFJHUCULJNTOF-UHFFFAOYAN

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