2-Chloro-5-iodobenzoic acid

C₇H₄ClIO₂CAS 19094-56-5282.46 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₄ClIO₂
Molar mass: 282.46 g/mol
Exact mass: 281.8945 Da
logP: 2.64Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed86.5% of notifiers
H315 Causes skin irritation15.4% of notifiers
H318 Causes serious eye damage82.7% of notifiers
H319 Causes serious eye irritation15.4% of notifiers
H335 May cause respiratory irritation13.5% of notifiers
H400 Very toxic to aquatic life82.7% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

19094-56-5

SMILES

O=C(O)c1cc(I)ccc1Cl

InChIKey

GEBYSTBEDVQOTK-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

3 names

Benzoic acid, 2-chloro-5-iodo-
5-Iodo-2-chlorobenzoic acid
B-(2-Chloro-5-iodophenyl)boronic acid

Work with 2-Chloro-5-iodobenzoic acid

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-Dichlorobenzoic acid50-79-366 % similar 2,5-Diiodobenzoic acid14192-12-264 % similar 5-Iodosalicylic acid119-30-262 % similar 5-Iodo-2-methylbenzoic acid54811-38-062 % similar 2-Chloro-5-hydroxybenzoic acid56961-30-962 % similar 2-Fluoro-5-iodobenzoic acid124700-41-060 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-160 % similar 5-Bromo-2-chlorobenzoic acid21739-92-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-2-iodobenzoic acid13421-00-6 4-Chloro-2-iodobenzoic acid13421-13-1 4-Chloro-3-iodobenzoic acid42860-04-8

Elsewhere

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