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1-(2-Trifluoromethylphenyl)ethylamine

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Name

1-(2-Trifluoromethylphenyl)ethylamine

EINECS N/A
CAS No. 273384-78-4 Density 1.18 g/cm3
PSA 26.02000 LogP 3.42540
Solubility at 25 deg C (mg/L): 4087 Melting Point N/A
Formula C9H10F3N Boiling Point 196.3 °C at 760 mmHg
Molecular Weight 189.18 Flash Point 78.8 °C
Transport Information UN 2735 Appearance N/A
Safety 26-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 273384-78-4 ((RS)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE) Hazard Symbols IrritantXi
Synonyms

(1-[2-(Trifluoromethyl)phenyl]ethylamine;1-[2-(trifluoromethyl)phenyl]ethanamine;

Article Data 11

1-(2-Trifluoromethylphenyl)ethylamine Specification

The Benzenemethanamine, α-methyl-2-(trifluoromethyl)-, with the CAS registry number 273384-78-4, has the systematic name of 1-[2-(trifluoromethyl)phenyl]ethanamine. It belongs to the product categories of Amines and Anilines. And the molecular formula of the chemical is C9H10F3N.

The characteristics of Benzenemethanamine, α-methyl-2-(trifluoromethyl)- are as followings: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): 0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.91; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 44.32 cm3; (15)Molar Volume: 160.1 cm3; (16)Polarizability: 17.56×10-24cm3; (17)Surface Tension: 28 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 78.8 °C; (20)Enthalpy of Vaporization: 43.25 kJ/mol; (21)Boiling Point: 196.3 °C at 760 mmHg; (22)Vapour Pressure: 0.401 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1ccccc1C(N)C
(2)InChI: InChI=1/C9H10F3N/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6H,13H2,1H3
(3)InChIKey: DPLIMKBGTYIUCB-UHFFFAOYAJ

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