CAS 4590-52-7 Carbostyril, 3,4-dihydro-7-fluoro- (HCID 138300)

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Basic information

CAS: 4590-52-7
Standard SMILES: O=C1CCc2ccc(F)cc2N1
InChIKey: KUWDWKUKAVRBKW-UHFFFAOYSA-N
Molecular formula: C9H8FNO
Average molar mass: 165.16 g/mol
Monoisotopic mass: 165.05899204

Names & identifiers

Preferred name: Carbostyril, 3,4-dihydro-7-fluoro-
IUPAC: 7-fluoro-3,4-dihydro-1H-quinolin-2-one
English name: NISTC4590527
Molecular formula: C9H8FNO
Molecular weight: 165.16

Names & synonyms

4590-52-7Carbostyril, 3,4-dihydro-7-fluoro-7-fluoro-1,2,3,4-tetrahydroquinolin-2-oneDTXSID80196652RefChem:574591DTXCID20119143858-375-97-fluoro-3,4-dihydroquinolin-2(1H)-one7-fluoro-3,4-dihydro-1H-quinolin-2-oneNISTC4590527MFCD118117682(1H)-Quinolinone, 7-fluoro-3,4-dihydro-

Show more names

7-Fluoro-3,4-dihydroquinolin-2(1H)7-fluoro-3,4-dihydro-2(1H)-Quinolinone137-Fluoro-3,4-dihydroquinoline-2(1H)-one

SCHEMBL2595216SCHEMBL4102521SCHEMBL29754281KUWDWKUKAVRBKW-UHFFFAOYSA-NEAA59052AKOS016015334Carbostyril, 3,4-dihydro-7-fluoro-,AS-39156

Database identifiers

CAS: 4590-52-7
PubChem CID: 138300
DTXSID: DTXSID80196652
EC Number: 858-375-9

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 195

Physicochemical properties

Boiling point: 305.8 · 305.8±42.0 °C(Predicted)
Density: 1.241 · 1.241±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.01 · 14.01±0.20(Predicted)
Appearance: White to off-white Powder
InChI: InChI=1S/C9H8FNO/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1,3,5H,2,4H2,(H,11,12)
InChIKey: KUWDWKUKAVRBKW-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(F)=C2)CCC1=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2933491090 · 2933491090

Safety & regulation

Safety data

hs_code: 2933491090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362