4-fluoroisoquinoline (HCID 640973)

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Basic information

Standard SMILES: Fc1cncc2ccccc12
InChIKey: VFFQGPWQVYUFLV-UHFFFAOYSA-N
Molecular formula: C9H6FN
Average molar mass: 147.152 g/mol
Monoisotopic mass: 147.04842741

Names & identifiers

Preferred name: 4-fluoroisoquinoline
IUPAC: 4-Fluoroisoquinoline
English name: 4-Fluoroisoquinoline
Molecular formula: C9H6FN
Molecular weight: 147.15

Names & synonyms

4-fluoroisoquinoline sulfate4-FLUOROISOQUINOLINE4-Floro isoquinoli11eIsoquinoline, 4-fluoro-4-Fluoroisoquinoline 95+%4-Fluoroisoquinoline ISO 9001：2015 REACH

Database identifiers

CAS: 394-67-2
PubChem CID: 640973
DTXSID: DTXSID80348836
EC Number: 835-605-6
Nikkaji: J2.954.293G

Properties

Physicochemical properties

Melting point: 34 °C · 34 °C
Boiling point: 240 ℃ · 240℃
Density: 1.216 · 1.216
refractive index: 1.5914 · 1.5914
Flash point: 99 ℃ · 99℃
storage temp.: 2 · 2-8°C
form: powder to lump
pka: 3.45 · 3.45±0.10(Predicted)
color: White to Light yellow
InChI: InChI=1S/C9H6FN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
InChIKey: VFFQGPWQVYUFLV-UHFFFAOYSA-N
SMILES: C1C2=C(C=CC=C2)C(F)=CN=1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315
Precautionary statements: 264 · 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: H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362