2-Chloro-5-nitrobenzoic acid

C₇H₄ClNO₄CAS 2516-96-3201.56 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Nitro

Properties

Molecular formula: C₇H₄ClNO₄
Molar mass: 201.56 g/mol
Exact mass: 200.9829 Da
Density: 1.68 g/mL
Melting point: 166.5 °C
logP: 1.95Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed71.4% of notifiers
H315 Causes skin irritation80.4% of notifiers
H317 May cause an allergic skin reaction17.9% of notifiers
H318 Causes serious eye damage67.9% of notifiers
H319 Causes serious eye irritation30.4% of notifiers
H335 May cause respiratory irritation80.4% of notifiers
H400 Very toxic to aquatic life67.9% of notifiers

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

2516-96-3

SMILES

O=C(O)c1cc([N+](=O)[O-])ccc1Cl

InChIKey

QUEKGYQTRJVEQC-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)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 and density.

Names and synonyms

5 names

Benzoic acid, 2-chloro-5-nitro-
6-Chloro-3-nitrobenzoic acid
4-Chloro-3-carboxynitrobenzene
5-Nitro-2-chlorobenzoic acid
NSC 8441

Work with 2-Chloro-5-nitrobenzoic 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-Chloro-4-nitrobenzoic acid99-60-578 % similar 4-Nitrophthalic acid610-27-572 % similar 4,4'-Dinitrodiphenic acid20246-81-570 % similar 2,5-Dinitrobenzoic acid610-28-668 % similar 2-Chloro-5-nitrobenzoyl chloride25784-91-267 % similar 5-Nitrosalicylic acid96-97-967 % similar 2-Chloro-5-nitrobenzamide16588-15-165 % similar 2-Methyl-5-nitrobenzoic acid1975-52-665 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-2-nitrobenzoic acid2516-95-2 3-Chloro-4-nitrobenzoic acid39608-47-4 2-Chloro-3-nitrobenzoic acid3970-35-2 4-Chloro-2,6-pyridinedicarboxylic Acid4722-94-5 3-Chloro-2-nitrobenzoic acid4771-47-5 2-Chloro-6-nitrobenzoic acid5344-49-0 4-Chloro-2-nitrobenzoic acid6280-88-2 4-Nitrophenyl chloroformate7693-46-1

Elsewhere

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