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Basic Information
CAS No.: 34522-72-0
Name: 5,7-Difluoroquinoline
Molecular Structure:
Molecular Structure of 34522-72-0 (5,7-Difluoroquinoline)
Formula: C9H5F2N
Molecular Weight: 165.14
Synonyms: Quinoline, 5,7-difluoro-;
Density: 1.319 g/cm3
Boiling Point: 235.018 °C at 760 mmHg
Flash Point: 95.936 °C
PSA: 12.89000
LogP: 2.51300
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Chemistry

Molecule structure of 5,7-Difluoroquinoline (CAS NO.34522-72-0):

IUPAC Name: 5,7-Difluoroquinoline 
Molecular Weight: 165.139506 g/mol
Molecular Formula: C9H5F2N 
Density: 1.319 g/cm3 
Boiling Point: 235 °C at 760 mmHg 
Flash Point: 95.9 °C
Index of Refraction: 1.588
Molar Refractivity: 42.17 cm3
Molar Volume: 125.1 cm3
Polarizability: 16.71×10-24 cm3
Surface Tension: 42.4 dyne/cm 
Enthalpy of Vaporization: 45.26 kJ/mol
Vapour Pressure: 0.0783 mmHg at 25 °C
XLogP3-AA: 2.4
H-Bond Acceptor: 3
Exact Mass: 165.039006
MonoIsotopic Mass: 165.039006
Topological Polar Surface Area: 12.9
Heavy Atom Count: 12
Complexity: 163
Canonical SMILES: C1=CC2=C(C=C(C=C2N=C1)F)F
InChI: InChI=1S/C9H5F2N/c10-6-4-8(11)7-2-1-3-12-9(7)5-6/h1-5H
InChIKey of 5,7-Difluoroquinoline (CAS NO.34522-72-0): IRTWLWBEQPMVNM-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mic-sat 200 nmol/plate

     MUREAV    Mutation Research. 439 (1999),149.

Safety Profile

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

Specification

 5,7-Difluoroquinoline (CAS NO.34522-72-0) is also named as CCRIS 8236 ; Quinoline, 5,7-difluoro- .