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54672-14-9

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Basic Information
CAS No.: 54672-14-9
Name: 2-(DiMethylaMino)benzotrifluoride
Article Data: 6
Molecular Structure:
Molecular Structure of 54672-14-9 (2-(DiMethylaMino)benzotrifluoride)
Formula: C9H10F3N
Molecular Weight: 189.18
Synonyms: N,N-Dimethyl-2-trifluoromethylaniline;N,N-Dimethyl-2-(trifluoromethyl)benzenamine;2-(Dimethylamino)benzotrifluoride;
Density: 1.175 g/cm3
Boiling Point: 188.7 °C at 760 mmHg
Flash Point: 67.9 °C
PSA: 3.24000
LogP: 2.77140
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Specification

The Benzenamine, N,N-dimethyl-2-(trifluoromethyl)-, with the CAS registry number 54672-14-9, is also known as 2-(Dimethylamino)benzotrifluoride. This chemical's molecular formula is C9H10F3N and molecular weight is 189.18. What's more, its systematic name is N,N-dimethyl-2-(trifluoromethyl)aniline.

Physical properties of Benzenamine, N,N-dimethyl-2-(trifluoromethyl)- are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.61; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 328.11; (6)ACD/BCF (pH 7.4): 331.5; (7)ACD/KOC (pH 5.5): 2194.27; (8)ACD/KOC (pH 7.4): 2216.92; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 45.54 cm3; (15)Molar Volume: 160.9 cm3; (16)Polarizability: 18.05×10-24cm3; (17)Surface Tension: 26.8 dyne/cm; (18)Density: 1.175 g/cm3; (19)Flash Point: 67.9 °C; (20)Enthalpy of Vaporization: 42.49 kJ/mol; (21)Boiling Point: 188.7 °C at 760 mmHg; (22)Vapour Pressure: 0.592 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccccc1N(C)C
(2)InChI: InChI=1S/C9H10F3N/c1-13(2)8-6-4-3-5-7(8)9(10,11)12/h3-6H,1-2H3
(3)InChIKey: KVDXCIFHIBKRGZ-UHFFFAOYSA-N