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206439-04-5

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Basic Information
CAS No.: 206439-04-5
Name: 2-chloro-N-(2,6-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide
Molecular Structure:
Molecular Structure of 206439-04-5 (2-chloro-N-(2,6-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide)
Formula: C12H14ClNO2
Molecular Weight: 239.72
Density: 1.17g/cm3
Boiling Point: 341.5°Cat760mmHg
Flash Point: 116.5°C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and Cl−.
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Chemistry

IUPAC Name: 2-chloro-N-(2,6-diethyl-4-oxocyclohexa-2,5-dien-1-ylidene)acetamide 
Empirical Formula: C12H14ClNO2
Molecular Weight: 239.6981g/mol 
Index of Refraction: 1.542
Molar Refractivity: 64.28 cm3
Molar Volume: 204.1 cm3
 Polarizability: 25.48×10-24cm3
Surface Tension: 38.2 dyne/cm
Density: 1.17 g/cm3
Flash Point: 116.5 °C
Enthalpy of Vaporization: 58.52 kJ/mol
Boiling Point: 341.5 °C at 760 mmHg
Vapour Pressure: 7.99E-05 mmHg at 25°C
Canonical SMILES: CCC1=CC(=O)C=C(C1=NC(=O)CCl)CC
InChI: InChI=1S/C12H14ClNO2/c1-3-8-5-10(15)6-9(4-2)12(8)14-11(16)7-13/h5-6H,3-4,7H2,1-2H3
InChIKey: XALUHSMPDJVTTD-UHFFFAOYSA-N
Structure of N-Chloroacetyl-3,5-diethyl-p-benzoquinone-4-imine (CAS NO.206439-04-5):

Toxicity Data With Reference

1.    

uns-hmn-lym 300 nmol/L

     MUREAV    Mutation Research. 395 (1997),159.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and Cl−.

Specification

  N-Chloroacetyl-3,5-diethyl-p-benzoquinone-4-imine , its cas register number is 206439-04-5. It also can be called 2-Chloro-N-(2,6-diethyl-4-oxo-2,5-cyclohexadien-1-ylidene)acetamide ; 3,5-Diethyl-p-benzoquinone 4-(N-chloroacetyl)imine ; Chloroacetyldiethylquinoneimine .