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CAS No.: | 54730-35-7 |
---|---|
Name: | 3,5-Dichloro-4-methylaniline |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H7Cl2N |
Molecular Weight: | 176.045 |
Synonyms: | p-Toluidine,3,5-dichloro- (7CI);3,5-Dichloro-4-methylaniline;3,5-Dichloro-4-methylbenzenamine;3,5-Dichloro-4-methylphenylamine;3,5-Dichloro-p-toluidine;4-Amino-2,6-dichlorotoluene; |
Density: | 1.334g/cm3 |
Melting Point: | 57-59 °C |
Boiling Point: | 284.6 °C at 760 mmHg |
Flash Point: | 125.9 °C |
PSA: | 26.02000 |
LogP: | 3.46520 |
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The Benzenamine,3,5-dichloro-4-methyl-, with CAS registry number 54730-35-7, has the systematic name of 3,5-dichloro-4-methylaniline. Besides this, it is also called 3,5-Dichloro-4-methylaniline. Its molecular weight is 174.99. And the chemical formula of this chemical is C7H7Cl2N.
Physical properties of Benzenamine,3,5-dichloro-4-methyl-: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 149.15; (6)ACD/BCF (pH 7.4): 149.53; (7)ACD/KOC (pH 5.5): 1250.75; (8)ACD/KOC (pH 7.4): 1253.95; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 45.1 cm3; (15)Molar Volume: 131.8 cm3; (16)Polarizability: 17.88×10-24cm3; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.334 g/cm3; (19)Flash Point: 125.9 °C; (20)Enthalpy of Vaporization: 52.36 kJ/mol; (21)Boiling Point: 284.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00295 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1C)N
(2)InChI: InChI=1/C7H7Cl2N/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3
(3)InChIKey: GTEUMCIATAHZFK-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H7Cl2N/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3
(5)Std. InChIKey: GTEUMCIATAHZFK-UHFFFAOYSA-N