2-Chloro-5-iodobenzonitrile

C₇H₃ClINCAS 289039-29-8263.46 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₃ClIN
Molar mass: 263.46 g/mol
Exact mass: 262.8999 Da
logP: 2.82Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic 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, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

289039-29-8

SMILES

N#Cc1cc(I)ccc1Cl

InChIKey

RXNOBNYCCAEGJD-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClIN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H

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

Names and synonyms

1 names

Benzonitrile, 2-chloro-5-iodo-

Work with 2-Chloro-5-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

2,5-Dichlorobenzonitrile21663-61-660 % similar 2-Chlorobenzonitrile873-32-557 % similar 2-Fluoro-5-iodobenzonitrile351003-36-656 % similar 5-Amino-2-chlorobenzonitrile35747-58-156 % similar 5-Bromo-2-chlorobenzonitrile57381-44-956 % similar 2-Chloro-5-fluorobenzonitrile57381-56-356 % similar 1,2-Dichloro-4-iodobenzene20555-91-354 % similar 2-Fluoro-4-iodobenzonitrile137553-42-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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