CAS 1075-11-2 6-Fluoroisoquinoline (HCID 21889847)

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Basic information

CAS: 1075-11-2
Standard SMILES: Fc1ccc2cnccc2c1
InChIKey: ALLJCJZVQMDEHE-UHFFFAOYSA-N
Molecular formula: C9H6FN
Average molar mass: 147.15 g/mol
Monoisotopic mass: 147.04842741

Names & identifiers

Preferred name: 6-Fluoroisoquinoline
IUPAC: 6-fluoroisoquinoline
English name: 6-FLUOROISOQUINOLINE
Molecular formula: C9H6FN
Molecular weight: 147.15

Names & synonyms

6-FLUOROISOQUINOLINE1075-11-2DTXSID10619526RefChem:308438DTXCID705702806-Fluoro-isoquinolineIsoquinoline, 6-fluoro-MFCD11226829SCHEMBL1551786AKOS006237641CS-W019741MB09677

Show more names

6-fluoroisoquinoline - [F9738]6-FLUOROISOQUINOLINE ISO 9001：2015 REACH

DS-14448SY047444EN300-59700BCP027816-Fluoroisoquinoline;AM802900FT-0746549A848678

Database identifiers

CAS: 1075-11-2
PubChem CID: 21889847
DTXSID: DTXSID10619526
EC Number: 112-747-0
Nikkaji: J3.382.636B

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 48 · 48-50℃
Boiling point: 255.3 · 255.3±13.0 °C(Predicted)
Density: 1.216 · 1.216±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 5.27 · 5.27±0.10(Predicted)
Appearance: Off-white to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
HS Code: 2933491090 · 2933491090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P262, P264, P270, P273, P280, P301+P317, P302+P352, P316, P321, P330, P332+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2933491090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501