Methyl 2-amino-4-chlorobenzoate

C₈H₈ClNO₂CAS 5900-58-3185.61 g/mol

Open in Covalent MOL file

Aryl halide Ester Primary amine

Properties

Molecular formula: C₈H₈ClNO₂
Molar mass: 185.61 g/mol
Exact mass: 185.0244 Da
Melting point: 65–66 °C
logP: 1.71Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

5900-58-3

SMILES

COC(=O)c1ccc(Cl)cc1N

InChIKey

YPSSCICDVDOEAI-UHFFFAOYSA-N

InChI

InChI=1S/C8H8ClNO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3

Weigh it out

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

Names and synonyms

8 names

Benzoic acid, 2-amino-4-chloro-, methyl ester
Anthranilic acid, 4-chloro-, methyl ester
Methyl 4-chloroanthranilate
4-Chloroanthranilic acid methyl ester
2-Methoxycarbonyl-5-chloroaniline
2-Amino-4-chlorobenzoic acid methyl ester
NSC 400871
Methyl 4-chloro-2-aminobenzoate

Work with Methyl 2-amino-4-chlorobenzoate

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

Methyl 2-amino-5-chlorobenzoate5202-89-179 % similar Methyl 2,4-dichlorobenzoate35112-28-869 % similar Dimethyl 3-aminoterephthalate5372-81-666 % similar Methyl 5-chloro-2-methoxybenzoate33924-48-065 % similar Methyl 2-bromo-4-chlorobenzoate57381-62-165 % similar Methyl 3-amino-5-chloro-2-hydroxybenzoate5043-81-264 % similar Methyl 2,5-dichlorobenzoate2905-69-364 % similar Methyl 2-amino-4-bromobenzoate135484-83-262 % similar

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

Same formula

2-(2-Chlorophenyl)glycine141196-64-7 (2S)-2-Amino-2-(2-chlorophenyl)acetic acid141315-50-6 Ethyl chloronicotinate1452-94-4 2-Amino-5-chloro-3-methylbenzoic acid20776-67-4 Ethyl 6-chloropicolinate21190-89-6 Methyl 2-Chloro-6-methylisonicotinate3998-90-1 Methyl 3-amino-4-chlorobenzoate40872-87-5 Methyl-5-amino-2-chlorobenzoate42122-75-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook