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351-61-1

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Basic Information
CAS No.: 351-61-1
Name: N-(2,2,2-trifluoroethyl)aniline
Article Data: 15
Molecular Structure:
Molecular Structure of 351-61-1 (N-(2,2,2-trifluoroethyl)aniline)
Formula: C8H8F3N
Molecular Weight: 175.153
Synonyms: F9995-0049;2,2,2-trifluoroethyl aniline;
Density: 1.235g/cm3
Boiling Point: 186°Cat760mmHg
Flash Point: 66.3°C
Safety: A poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic vapors of NOx and F−.
PSA: 12.03000
LogP: 2.73380
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Chemistry

IUPAC Name: N-(2,2,2-Trifluoroethyl)aniline
Synonyms of N-(2,2,2-Trifluoroethyl)aniline (CAS NO.351-61-1): Aniline, N-(2,2,2-trifluoroethyl)-
InChI: InChI=1/C8H8F3N/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-5,12H,6H2
InChIKey: IHCPNFMGAKAAKN-UHFFFAOYAO
Std. InChI: InChI=1S/C8H8F3N/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-5,12H,6H2
Std. InChIKey: IHCPNFMGAKAAKN-UHFFFAOYSA-N
CAS NO: 351-61-1
Molecular Formula: C8H8F3N
Molecular Weight: 175.151
Molecular Structure :
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 3.24 Å2
Index of Refraction: 1.489
Molar Refractivity: 40.95 cm3
Molar Volume: 141.7 cm3
Surface Tension: 29.1 dyne/cm
Density: 1.235 g/cm3
Flash Point: 66.3 °C
Enthalpy of Vaporization: 42.22 kJ/mol
Boiling Point: 186 °C at 760 mmHg
Vapour Pressure: 0.679 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00012,
mouse LDLo intraperitoneal 250uL/kg (0.25mL/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 2, Pg. 184, 1950.

Safety Profile

A poison by intraperitoneal and intravenous routes. When N-(2,2,2-Trifluoroethyl)aniline (CAS NO.351-61-1) is heated to decomposition, it emits toxic vapors of NOx and F−.