CAS No.65934-74-9,4-Methyl-3-(trifluoromethyl)aniline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	65934-74-9
Name:	4-Methyl-3-(trifluoromethyl)aniline
Article Data:	5

Formula:	C₈H₈F₃N
Molecular Weight:	175.153
Synonyms:	(4-Methyl-3-trifluoromethylphenyl)amine;4-Amino-2-trifluoromethyltoluene;4-Methyl-3-(trifluoromethyl)aniline;4-Methyl-3-(trifluoromethyl)benzenamine;5-Amino-2-methylbenzotrifluoride;
EINECS:	-0
Density:	1.237g/cm³
Boiling Point:	204.1 °C at 760 mmHg
Flash Point:	84.4 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	26.02000
LogP:	3.17720

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Specification

The Benzenamine,4-methyl-3-(trifluoromethyl)-, with CAS registry number 65934-74-9, belongs to the following product category: Trifluoromethylbenzene serise. It has the systematic name of 4-methyl-3-(trifluoromethyl)aniline. And the chemical formula of this chemical is C₈H₈F₃N.

Physical properties of Benzenamine,4-methyl-3-(trifluoromethyl)-: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 84.6; (6)ACD/BCF (pH 7.4): 86.29; (7)ACD/KOC (pH 5.5): 829.4; (8)ACD/KOC (pH 7.4): 845.92; (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: 1.481; (14)Molar Refractivity: 40.29 cm³; (15)Molar Volume: 141.4 cm³; (16)Polarizability: 15.97×10^-24cm³; (17)Surface Tension: 28.8 dyne/cm; (18)Enthalpy of Vaporization: 44.04 kJ/mol; (19)Vapour Pressure: 0.268 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-bromo-3-trifluoromethyl-aniline and Trimethyl-boroξn. This reaction will need reagents Pd(PPh₃)₄, K₂CO₃ and solvent dimethylformamide. The reaction time is 17 hour(s) with reaction temperature of 115 - 120 ℃. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,4-methyl-3-(trifluoromethyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(N)ccc1C
(2)InChI: InChI=1/C8H8F3N/c1-5-2-3-6(12)4-7(5)8(9,10)11/h2-4H,12H2,1H3
(3)InChIKey: JBCDCYFEJQHTTA-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H8F3N/c1-5-2-3-6(12)4-7(5)8(9,10)11/h2-4H,12H2,1H3
(5)Std. InChIKey: JBCDCYFEJQHTTA-UHFFFAOYSA-N