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CAS No.: | 52831-60-4 |
---|---|
Name: | 4-FLUORO-7-METHYL-6H-(1)BENZOTHIO-PYRANO(4,3-b)QUINOLINE |
Molecular Structure: | |
Formula: | C17H12FNS |
Molecular Weight: | 281.36 |
Synonyms: | 4-Fluoro-7-methyl-6H-(1)benzothiopyrano(4,3-b)quinoline;6H-(1)BENZOTHIOPYRANO(4,3-b)QUINOLINE,4-FLUORO-7-METHYL; |
Density: | 1.318g/cm3 |
Boiling Point: | 478.9°Cat760mmHg |
Flash Point: | 243.4°C |
Safety: | Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of F−, SOx, and NOx. |
PSA: | 38.19000 |
LogP: | 4.95500 |
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Product Name: 4-Fluoro-7-methyl-6H-(1)benzothiopyrano(4,3-b)quinoline(CAS NO.52831-60-4)
Molecular Formula: C17H12FNS
Molecular Weight: 281.36g/mol
Mol File: 52831-60-4.mol
Boiling point: 478.9 °C at 760 mmHg
Flash Point: 243.4 °C
Density: 1.318 g/cm3
Surface Tension: 56.5 dyne/cm
Enthalpy of Vaporization: 71.47 kJ/mol
Vapour Pressure: 7.18E-09 mmHg at 25°C
XLogP3-AA: 4.4
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of 4-Fluoro-7-methyl-6H-(1)benzothiopyrano(4,3-b)quinoline(CAS NO.52831-60-4):
IUPAC Name: 4-Fluoro-7-methyl-6H-thiochromeno[4,3-b]quinoline
Canonical SMILES: CC1=C2CSC3=C(C2=NC4=CC=CC=C14)C=CC=C3F
InChI: InChI=1S/C17H12FNS/c1-10-11-5-2-3-8-15(11)19-16-12-6-4-7-14(18)17(12)20-9-13(10)16/h2-8H,9H2,1H3
InChIKey: HWASMIHIGPXHJA-UHFFFAOYSA-N
1. | mma-sat 100 µg/plate | MUREAV Mutation Research. 66 (1979),307. |
Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of F−, SOx, and NOx.
4-Fluoro-7-methyl-6H-(1)benzothiopyrano(4,3-b)quinoline, its CAS NO. is 52831-60-4, the synonyms are BRN 4856433 ; 6H-(1)Benzothiopyrano(4,3-b)quinoline, 4-fluoro-7-methyl- .