CAS 313337-33-6 4-Fluoro-1H-indole-7-carbonitrile (HCID 22473022)

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Basic information

CAS: 313337-33-6
Standard SMILES: N#Cc1ccc(F)c2cc[nH]c12
InChIKey: OHNJUDBFNBBWHU-UHFFFAOYSA-N
Molecular formula: C9H5FN2
Average molar mass: 160.15 g/mol
Monoisotopic mass: 160.04367633

Names & identifiers

Preferred name: 4-Fluoro-1H-indole-7-carbonitrile
IUPAC: 4-fluoro-1H-indole-7-carbonitrile
English name: 4-Fluoro-1H-indole-7-carbonitrile
Molecular formula: C9H5FN2
Molecular weight: 160.15

Names & synonyms

4-Fluoro-1H-indole-7-carbonitrile313337-33-6DTXSID20625895RefChem:98941DTXCID90576648961-540-97-Cyano-4-fluoroindoleMFCD118455971H-Indole-7-carbonitrile,4-fluoro-(9CI)1H-INDOLE-7-CARBONITRILE, 4-FLUORO-4-Fluoroindole-7-carbonitrile4-fluoro-7-cyanoindole

Show more names

SW-9SWF-94-FLUORO-1H-INDOLE-7-CARBONITRILE 97%

SCHEMBL14205397-Cyano-4-fluoro-1H-indoleAMY9989OHNJUDOHNJUDBFNBBWHU-UHFFFAOYSA-NAKOS015995200PB16429DA-39407

Database identifiers

CAS: 313337-33-6
PubChem CID: 22473022
DTXSID: DTXSID20625895
EC Number: 961-540-9

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 39.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 220

Physicochemical properties

Boiling point: 357 · 357.0±22.0 °C(Predicted)
Density: 1.34 · 1.34±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.01 · 14.01±0.30(Predicted)
Appearance: White to off-white 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: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.

Safety data

hs_code: 2933998090
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