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Basic Information
CAS No.: 96100-12-8
Name: 3-Methyl-5-trifluoromethylaniline
Article Data: 2
Molecular Structure:
Molecular Structure of 96100-12-8 (3-Methyl-5-trifluoromethylaniline)
Formula: C8H8F3N
Molecular Weight: 175.153
Synonyms: 3-Methyl-5-(trifluoromethyl)aniline;3-Trifluoromethyl-5-methylaniline;
Density: 1.238 g/cm3
Boiling Point: 203.3 °C at 760 mmHg
Flash Point: 84 °C
Hazard Symbols: ToxicT
Risk Codes: 23/24/25
Safety: 23-26-28-36/37/39-45
PSA: 26.02000
LogP: 3.17720
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Chemistry

IUPAC Name: 3-methyl-5-(trifluoromethyl)aniline 
Empirical Formula: C8H8F3N
Molecular Weight: 175.151g/mol
Structure of Benzenamine,3-methyl-5-(trifluoromethyl)- (CAS NO.96100-12-8):

Index of Refraction: 1.481
Molar Refractivity: 40.29 cm3
Molar Volume: 141.4 cm3
Polarizability: 15.97×10-24cm3
Surface Tension: 28.8 dyne/cm
Density: 1.237 g/cm3
Flash Point: 84 °C
Enthalpy of Vaporization: 43.95 kJ/mol
Boiling Point: 203.3 °C at 760 mmHg
Vapour Pressure: 0.279 mmHg at 25°C 
Canonical SMILES: CC1=CC(=CC(=C1)N)C(F)(F)F
InChI: InChI=1S/C8H8F3N/c1-5-2-6(8(9,10)11)4-7(12)3-5/h2-4H,12H2,1H3
InChIKey: WYDJMBLMXGCHOL-UHFFFAOYSA-N

Safety Profile

Hazard Codes: ToxicT
Risk Statements: 23/24/25 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 23-26-28-36/37/39-45
 S23:Do not breathe vapour. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S28:After contact with skin, wash immediately with plenty of soap-suds. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 2811
Hazard Note: Toxic

Specification

  Benzenamine,3-methyl-5-(trifluoromethyl)- , its cas register number is 96100-12-8. It also can be called 3-Methyl-5-(trifluormethyl)anilin ; 3-Methyl-5-(trifluoromethyl)aniline ; 3-Amino-5-methylbenzotrifluoride .