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331-54-4

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Basic Information
CAS No.: 331-54-4
Name: 3-chloro-N-(2,2-difluoroethyl)aniline
Molecular Structure:
Molecular Structure of 331-54-4 (3-chloro-N-(2,2-difluoroethyl)aniline)
Formula: C8H8ClF2N
Molecular Weight: 191.62
Density: 1.289g/cm3
Boiling Point: 260.8°Cat760mmHg
Flash Point: 111.6°C
Safety: A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx, F−, and Cl−.
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  • m-CHLORO-N-(2,2-DIFLUOROETHYL)ANILINE

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    m-CHLORO-N-(2,2-DIFLUOROETHYL)ANILINE

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  • m-CHLORO-N-(2,2-DIFLUOROETHYL)ANILINE

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    m-CHLORO-N-(2,2-DIFLUOROETHYL)ANILINE

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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  • 3-chloro-N-(2,2-difluoroethyl)aniline

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    331-54-4

    3-chloro-N-(2,2-difluoroethyl)aniline

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Chemistry

IUPAC Name: 3-Chloro-N-(2,2-Difluoroethyl)aniline
Following is the structure of m-Chloro-N-(2,2-difluoroethyl)aniline (CAS NO.331-54-4):
               
Empirical Formula: C8H8ClF2N
Molecular Weight: 191.6056 g/mol
Surface Tension: 33.7 dyne/cm
Density: 1.289 g/cm3
Flash Point: 111.6 °C
Enthalpy of Vaporization: 49.85 kJ/mol
Boiling Point: 260.8 °C at 760 mmHg
Vapour Pressure: 0.012 mmHg at 25 °C
Index of Refraction of m-Chloro-N-(2,2-difluoroethyl)aniline (CAS NO.331-54-4): 1.526
Canonical SMILES: C1=CC(=CC(=C1)Cl)NCC(F)F
InChI: InChI=1S/C8H8ClF2N/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4,8,12H,5H2
InChIKey: QSLIBRQKKASYQF-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ipr-mus LDLo:25 µL/kg

     CBCCT*    “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 2 (1950),184.

Safety Profile

A poison by intraperitoneal route. When heated to decomposition, m-Chloro-N-(2,2-difluoroethyl)aniline (CAS NO.331-54-4) emits toxic vapors of NOx, F−, and Cl−.

Specification

 m-Chloro-N-(2,2-difluoroethyl)aniline , its cas register number is 331-54-4. It also can be called Aniline, m-chloro-N-(2,2-difluoroethyl)- .