CAS No.25449-96-1,3-AMINO-4-METHYLBENZOTRIFLUORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25449-96-1
Name:	3-AMINO-4-METHYLBENZOTRIFLUORIDE
Article Data:	3

Formula:	C₈H₈F₃N
Molecular Weight:	175.153
Synonyms:	2,5-Xylidine,a5,a5,a5-trifluoro- (8CI);2-Amino-4-(trifluoromethyl)toluene;3-Amino-4-methylbenzotrifluoride;a5,a5,a5-Trifluoro-2,5-xylidine;
Density:	1.237 g/cm³
Melting Point:	34-38 °C
Boiling Point:	207.2 °C at 760 mmHg
Flash Point:	86 °C
Hazard Symbols:	T
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	26.02000
LogP:	3.17720

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Specification

The Benzenamine,2-methyl-5-(trifluoromethyl)-, with CAS registry number 25449-96-1, belongs to the following product categories: (1)Trifluoromethylbenzene serise; (2)Amines; (3)Blocks; (4)FluoroCompounds. It has the systematic name of 2-methyl-5-(trifluoromethyl)aniline. And the chemical formula of this chemical is C₈H₈F₃N.

Physical properties of Benzenamine,2-methyl-5-(trifluoromethyl)-: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 85.85; (6)ACD/BCF (pH 7.4): 86.3; (7)ACD/KOC (pH 5.5): 841.66; (8)ACD/KOC (pH 7.4): 846.08; (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: 44.34 kJ/mol; (19)Vapour Pressure: 0.229 mmHg at 25°C.

Uses of p-Chloropropiophenone: it can be used to produce bis-(2-methyl-5-trifluoromethyl-phenyl)-diazene. This reaction will need reagent MnO₂ and solvent benzene. The yield is about 42%.

When you are using this chemical, please be cautious about it as the following:
The Benzenamine,2-methyl-5-(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)c(cc1)C
(2)InChI: InChI=1/C8H8F3N/c1-5-2-3-6(4-7(5)12)8(9,10)11/h2-4H,12H2,1H3
(3)InChIKey: BCLCKENDTZITFB-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H8F3N/c1-5-2-3-6(4-7(5)12)8(9,10)11/h2-4H,12H2,1H3
(5)Std. InChIKey: BCLCKENDTZITFB-UHFFFAOYSA-N