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130536-39-9

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Basic Information
CAS No.: 130536-39-9
Name: QUINOLINE7,8-OXIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 130536-39-9 (QUINOLINE7,8-OXIDE)
Formula: C9H7NO
Molecular Weight: 145.161
Synonyms: QUINOLINE7,8-OXIDE
Density: 1.289g/cm3
Boiling Point: 299.5°C at 760 mmHg
Flash Point: 109.9°C
PSA: 25.42000
LogP: 1.54830
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Chemistry

Molecule structure of Quinoline-7,8-oxide (CAS NO.130536-39-9):

IUPAC Name: 1a,7b-Dihydrooxireno[2,3-h]quinoline 
Molecular Weight: 145.15798 g/mol
Molecular Formula: C9H7NO 
Density: 1.289 g/cm3 
Boiling Point: 299.5 °C at 760 mmHg
Flash Point: 109.9 °C
Index of Refraction: 1.636
Molar Refractivity: 40.39 cm3
Molar Volume: 112.5 cm3
Polarizability: 16.01×10-24 cm3
Surface Tension: 59.2 dyne/cm 
Enthalpy of Vaporization: 51.79 kJ/mol 
Vapour Pressure: 0.00211 mmHg at 25 °C
XLogP3-AA: 0.7
H-Bond Acceptor: 2
Exact Mass: 145.052764
MonoIsotopic Mass: 145.052764
Topological Polar Surface Area: 25.4
Heavy Atom Count: 11
Complexity: 202
Canonical SMILES: C1=CC2=C(C3C(O3)C=C2)N=C1
InChI: InChI=1S/C9H7NO/c1-2-6-3-4-7-9(11-7)8(6)10-5-1/h1-5,7,9H
InChIKey of Quinoline-7,8-oxide (CAS NO.130536-39-9): VHKOGTWROZZNFC-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mic-bac-sat 200 nmol/plate

     MUREAV    Mutation Research. 278 (1992),227.

Safety Profile

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

Specification

 Quinoline-7,8-oxide (CAS NO.130536-39-9) is also named as 1a,7b-Dihydrooxireno(h)quinoline (+-)- ; BRN 4177592 ; CCRIS 4437 ; (+-)-7,8-Epoxy-7,8-dihydroquinoline ; Oxireno(h)quinoline, 1a,7b-dihydro-, (+-)- .