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142129-81-5

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Basic Information
CAS No.: 142129-81-5
Name: trans-Quinoline-5,6,7,8-dioxide
Article Data: 2
Molecular Structure:
Molecular Structure of 142129-81-5 (trans-Quinoline-5,6,7,8-dioxide)
Formula: C9H7 N O2
Molecular Weight: 161.16
Synonyms: Bicyclo[4.2.0]octan-2-one,5,5,7,7,8,8-hexamethyl;trans-5,5,7,7,8,8-Hexamethyl-bicyclo<4.2.0>octan-2-on;
Density: 1.477g/cm3
Boiling Point: 338.4°C at 760 mmHg
Flash Point: 123.8°C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 37.95000
LogP: 0.97500
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  • trans-Quinoline-5,6,7,8-dioxide

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    142129-81-5

    trans-Quinoline-5,6,7,8-dioxide

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Chemistry

Empirical Formula of trans-Quinoline-5,6,7,8-dioxide (CAS NO.142129-81-5): C9H7NO2
Molecular Weight: 161.1574 g/mol
Index of Refraction: 1.663
Density: 1.477 g/cm3
Flash Point: 123.8 °C
Enthalpy of Vaporization: 55.87 kJ/mol
Boiling Point: 338.4 °C at 760 mmHg
Vapour Pressure: 0.000193 mmHg at 25 °C 
Structure of trans-Quinoline-5,6,7,8-dioxide (CAS NO.142129-81-5):
                  
Canonical SMILES: C1=CC2=C(C3C(O3)C4C2O4)N=C1
Isomeric SMILES: C1=CC2=C(C3C(O3)[C@H]4[C@H]2O4)N=C1
InChI: InChI=1S/C9H7NO2/c1-2-4-5(10-3-1)7-9(12-7)8-6(4)11-8/h1-3,6-9H/t6-,7?,8+,9?/m0/s1
InChIKey: DLTXKFCMJDWKEV-YRXIUSAGSA-N

Toxicity Data With Reference

1.    

mic-bac-sat 600 nmol/plate

     MUREAV    Mutation Research. 278 (1992),227.

Safety Profile

Mutation data reported. When heated to decomposition trans-Quinoline-5,6,7,8-dioxide (CAS NO.142129-81-5) emits toxic vapors of NOx.

Specification

 trans-Quinoline-5,6,7,8-dioxide , its cas register number is 142129-81-5. It also can be called (+-)-trans-5,6,7,8-Diepoxy-5,6,7,8-tetrahydroquinoline ; 1a,1b,2a,6b-Tetrahydrobisoxireno(f,h)quinoline (1a-alpha,1b-beta,2a-beta,6b-alpha)-(+-)- ; and Bisoxireno(f,h)quinoline, 1a,1b,2a,6b-tetrahydro-, (1a-alpha,1b-beta,2a-beta,6b-alpha)-(+-)- .