2-Fluoro-4-iodobenzonitrile

C₇H₃FINCAS 137553-42-5247.01 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

H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

137553-42-5

SMILES

N#Cc1ccc(I)cc1F

InChIKey

WHQVXHBSTRFRCE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzonitrile, 2-fluoro-4-iodo-
3-Fluoro-4-cyano-1-iodobenzene
4-Cyano-3-fluoroiodobenzene
4-Iodo-2-fluorobenzonitrile

Work with 2-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

2-Fluoro-1,4-benzenedicarbonitrile1897-53-660 % similar 2,4-Difluorobenzonitrile3939-09-160 % similar 2-Fluoro-4-hydroxybenzonitrile82380-18-558 % similar 4-Bromo-2-fluorobenzonitrile105942-08-356 % similar 4-Amino-2-fluorobenzonitrile53312-80-456 % similar 4-Chloro-2-fluorobenzonitrile57381-51-856 % similar 2-Fluoro-4-methylbenzonitrile85070-67-356 % similar 4-Iodo-2-(trifluoromethyl)benzonitrile101066-87-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Fluoro-5-iodobenzonitrile351003-36-6 2-Fluoro-6-iodobenzonitrile79544-29-9 3-Fluoro-4-iodobenzonitrile887266-99-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook