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CAS No.: | 43216-72-4 |
---|---|
Name: | 5-Chloro-2,4-toluenediamine |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H9ClN2 |
Molecular Weight: | 156.615 |
Synonyms: | 5-Chloro-2,4-toluenediamine; |
Density: | 1.281 g/cm3 |
Boiling Point: | 306.9 °C at 760 mmHg |
Flash Point: | 139.4 °C |
PSA: | 52.04000 |
LogP: | 2.97520 |
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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