3-Fluoro-4-iodobenzonitrile

C₇H₃FINCAS 887266-99-1247.01 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₃FIN
Molar mass: 247.01 g/mol
Exact mass: 246.9294 Da
logP: 2.30Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed97.7% of notifiers
H315 Causes skin irritation95.3% of notifiers
H318 Causes serious eye damage95.3% of notifiers
H335 May cause respiratory irritation93% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

887266-99-1

SMILES

C1=CC(=C(C=C1C#N)F)I

InChIKey

NPKQMCCUPXZXFI-UHFFFAOYSA-N

InChI

InChI=1S/C7H3FIN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-Fluoro-4-iodobenzonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Difluorobenzonitrile64248-62-064 % similar 3-Fluoro-4-methylbenzonitrile170572-49-361 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-660 % similar 4-Chloro-3-fluorobenzonitrile110888-15-856 % similar 4-Bromo-3-fluorobenzonitrile133059-44-656 % similar 4-Fluoro-3-methylbenzonitrile185147-08-456 % similar 4-Cyano-2-fluorophenol405-04-956 % similar 4-Amino-3-fluorobenzonitrile63069-50-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-4-iodobenzonitrile137553-42-5 2-Fluoro-5-iodobenzonitrile351003-36-6 2-Fluoro-6-iodobenzonitrile79544-29-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook