Benzenamine,N-phenyl-3-(trifluoromethyl)- supplier

Name
N-phenyl-3-(trifluoromethyl)aniline
EINECS 202-926-2
CAS No. 101-23-5
Article Data28
CAS DataBase
Density 1.255 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₀F₃N
Boiling Point 293.1 °C at 760 mmHg
Molecular Weight 237.224
Flash Point 131.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms m-Toluidine,a,a,a-trifluoro-N-phenyl- (6CI,7CI,8CI);3-(Trifluoromethyl)diphenylamine;N-Phenyl-3-(trifluoromethyl)aniline;NSC 50453;Phenyl(m-trifluoromethylphenyl)amine;m-Trifluoromethyldiphenylamine;a,a,a-Trifluoro-N-phenyl-m-toluidine;
PSA 12.03000
LogP 4.52200

Benzenamine,N-phenyl-3-(trifluoromethyl)- Specification

The Benzenamine,N-phenyl-3-(trifluoromethyl)-, with the CAS registry number 101-23-5, is also known as Phenyl(m-trifluoromethylphenyl)amine. Its EINECS number is 202-926-2. This chemical's molecular formula is C₁₃H₁₀F₃N and molecular weight is 237.22. What's more, its systematic name is N-phenyl-3-(trifluoromethyl)aniline.

Physical properties of Benzenamine,N-phenyl-3-(trifluoromethyl)- are: (1)ACD/LogP: 4.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.18; (4)ACD/LogD (pH 7.4): 4.18; (5)ACD/BCF (pH 5.5): 883.74; (6)ACD/BCF (pH 7.4): 883.74; (7)ACD/KOC (pH 5.5): 4472.8; (8)ACD/KOC (pH 7.4): 4472.81; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 60.6 cm³; (15)Molar Volume: 188.9 cm³; (16)Polarizability: 24.02×10^-24cm³; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 1.255 g/cm³; (19)Flash Point: 131.1 °C; (20)Enthalpy of Vaporization: 53.26 kJ/mol; (21)Boiling Point: 293.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00176 mmHg at 25°C.

Uses of Benzenamine,N-phenyl-3-(trifluoromethyl)-: it can be used to produce diphenyl-(3-trifluoromethyl-phenyl)-amine at the temperature of 160 °C. It will need various solvent(s) with the reaction time of 24 hours. This reaction will also need catalyst CuO. The yield is about 77%.

Benzenamine,N-phenyl-3-(trifluoromethyl)- can be used to produce diphenyl-(3-trifluoromethyl-phenyl)-amine at the temperature of 160 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)NC2=CC=CC(=C2)C(F)(F)F
(2)InChI: InChI=1S/C13H10F3N/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9,17H
(3)InChIKey: WJCRAVDPIMWFPG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	100mg/kg (100mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07406.

Product Name

N-phenyl-3-(trifluoromethyl)aniline

Benzenamine,N-phenyl-3-(trifluoromethyl)- Specification

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