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Basic Information
CAS No.: 5400-76-0
Name: 2,4,6-trichloro-3-methyl-aniline
Article Data: 4
Molecular Structure:
Molecular Structure of 5400-76-0 (2,4,6-trichloro-3-methyl-aniline)
Formula: C7H6Cl3N
Molecular Weight: 210.49
Synonyms: 2,4,6-Trichloro-3-methylaniline;3-Methyl-2,4,6-trichloroaniline;NSC 10381;
Density: 1.463 g/cm3
Boiling Point: 277.2 °C at 760 mmHg
Flash Point: 121.4 °C
PSA: 26.02000
LogP: 4.11860
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Specification

The Benzenamine,2,4,6-trichloro-3-methyl-, with the CAS registry number 5400-76-0, is also known as 3-Methyl-2,4,6-trichloroaniline. This chemical's molecular formula is C7H6Cl3N and molecular weight is 210.49. What's more, its systematic name is 2,4,6-trichloro-3-methylaniline.

Physical properties of Benzenamine,2,4,6-trichloro-3-methyl- are: (1)ACD/LogP: 4.20; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.611; (8)Molar Refractivity: 49.99 cm3; (9)Molar Volume: 143.8 cm3; (10)Polarizability: 19.82×10-24cm3; (11)Surface Tension: 47.8 dyne/cm; (12)Density: 1.463 g/cm3; (13)Flash Point: 121.4 °C; (14)Enthalpy of Vaporization: 51.57 kJ/mol; (15)Boiling Point: 277.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00459 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(Cl)cc(Cl)c1N)C
(2)InChI: InChI=1S/C7H6Cl3N/c1-3-4(8)2-5(9)7(11)6(3)10/h2H,11H2,1H3
(3)InChIKey: ZPDXEMXEUWPXSP-UHFFFAOYSA-N