6-Fluoro-5-nitroisoquinoline

HCID 20154047

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Basic information

CAS: 918490-54-7
Standard SMILES: O=[N+]([O-])c1c(F)ccc2cnccc12
InChIKey: ZWEFZZDPYSVNLL-UHFFFAOYSA-N
Molecular formula: C9H5FN2O2
Average molar mass: 192.15 g/mol

Names & identifiers

Preferred name: 6-Fluoro-5-nitroisoquinoline
IUPAC: 6-fluoro-5-nitroisoquinoline
English name: Isoquinoline, 6-fluoro-5-nitro-
Molecular formula: C9H5FN2O2
Molecular weight: 192.15

Names & synonyms

6-fluoro-5-nitroisoquinoline918490-54-7RefChem:543221991-415-4MFCD279327796-Fluoro-5-nitro-isoquinolineSCHEMBL2502319ZWEFZZDPYSVNLL-UHFFFAOYSA-NTLB49054D80154EN300-185506Isoquinoline, 6-fluoro-5-nitro-

Database identifiers

CAS: 918490-54-7
PubChem CID: 20154047
EC Number: 991-415-4

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 231

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.