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243128-44-1

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Basic Information
CAS No.: 243128-44-1
Name: 2-Methyl-3,5-di(trifluoromethyl)aniline
Molecular Structure:
Molecular Structure of 243128-44-1 (2-Methyl-3,5-di(trifluoromethyl)aniline)
Formula: C9H7F6N
Molecular Weight: 243.15
Synonyms: Benzenamine, 2-methyl-3,5-bis(trifluoromethyl)-;
Density: 1.389 g/cm3
Boiling Point: 193.1 °C at 760 mmHg
Flash Point: 79.7 °C
PSA: 26.02000
LogP: 4.19600
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Specification

The 2-Methyl-3,5-di(trifluoromethyl)aniline, with the CAS registry number of 243128-44-1, is also known as Benzenamine, 2-methyl-3,5-bis(trifluoromethyl)-. Its molecular formula is C9H7F6N and molecular weight is 243.15.

Physical properties about the 2-Methyl-3,5-di(trifluoromethyl)aniline are: (1)ACD/LogP: 4.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.58; (4)ACD/LogD (pH 7.4): 4.58; (5)ACD/BCF (pH 5.5): 1792.94; (6)ACD/BCF (pH 7.4): 1793.5; (7)ACD/KOC (pH 5.5): 7420.96; (8)ACD/KOC (pH 7.4): 7423.3; (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: 1.43; (14)Molar Refractivity: 45.27 cm3; (15)Molar Volume: 175 cm3; (16)Surface Tension: 23.4 dyne/cm; (17)Density: 1.389 g/cm3; (18)Flash Point: 79.7 °C; (19)Enthalpy of Vaporization: 42.93 kJ/mol; (20)Boiling Point: 193.1 °C at 760 mmHg; (21)Vapour Pressure: 0.472 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cc(N)c(c(c1)C(F)(F)F)C
(2) InChI: InChI=1/C9H7F6N/c1-4-6(9(13,14)15)2-5(3-7(4)16)8(10,11)12/h2-3H,16H2,1H3
(3) InChIKey: KWCSYADBUUUTPF-UHFFFAOYAI