2-Amino-4-chlorobenzoic acid

HCID 66646CAS 89-77-0
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1cc(Cl)ccc1C(=O)O
InChIKey
JYYLQSCZISREGY-UHFFFAOYSA-N
Molecular formula
C7H6ClNO2
Average molar mass
171.58 g/mol
Monoisotopic mass
171.00870611

Overview

2-Amino-4-chlorobenzoic acid is an aminobenzoic acid.

Names & identifiers

Preferred name
2-Amino-4-chlorobenzoic acid
IUPAC
2-amino-4-chlorobenzoic acid
English name
2-Amino-4-chlorobenzoic acid
Molecular formula
C7H6ClNO2
Molecular weight
171.58

Names & synonyms

2-Amino-4-chlorobenzoic acid89-77-04-Chloroanthranilic acidAnthranilic acid, 4-chloro-G55K85R12HNSC-17188DTXSID802374734CABA cpdRefChem:521916DTXCID80159964201-938-5Benzoic acid, 2-amino-4-chloro-
Show more names
2,4-ACBALR-812-Amino-4-chLRARECHEM AL BO 04002-Amino-4-chlorobenz4-chloro-2-aMino acid4-Chloro-2-Aminobenzoic4-chloro-anthranilicaci
MFCD000077784-Chloro anthranilic acid2-amino-4-chloro-benzoic acid4-chloro-2-aminobenzoic acid4-Chloroanthranil acidMefatinib Impurity 1EINECS 201-938-5BRN 0743349

Database identifiers

CAS
89-77-0
PubChem CID
66646
DTXSID
DTXSID80237473
ChEBI
CHEBI:194581
UNII
G55K85R12H
EC Number
201-938-5
Nikkaji
J4.307I

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
63.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
231 · 231-233 °C (lit.)
Boiling point
250 °C · 250°C (rough estimate)
Density
1.3246 · 1.3246 (rough estimate)
refractive index
1.556 · 1.5560 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
1 mol/L · almost transparency in 1mol/L NaOH

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 08-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25781

Benzoic acid, 2-amino-4-chloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
DG1570000
hs_code
29163990
risk_code
36/37/38-20/21/22
Signal word
Warning

Chemistry & industry

Applications · 2 items

Uses2-Amino-4-chlorobenzoic Acid is used in the preparation of quinazolinone derivatives observed to be useful in the treatment of Alzheimer’s disease. Also it aids in the synthesis of non-nucleoside, thumb pocket 2 HCV NS5B polymerase inhibitors used in Hepatitis C therapy.

Uses2-Amino-4-chlorobenzoic acid serves as the ligand L in the solvothermal synthesis of the terbium complex [Tb(L)2(H2O)3·H2O], which exhibits bright yellow-green luminescence[1]. 2-Amino-4-chlorobenzoic acid (2-A-4-CBA), acting as the first ligand, combines with 1,10-phenanthroline, the second ligand, to form the neodymium ternary complex Eu(2-A-4-CBA)₃phen. The compound is dissolved in ethanol to serve as a reference standard in thin layer chromatography (TLC) for detecting unreacted ligands in synthesized complexes[2].

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Additional notes

DefinitionChEBI: 2-Amino-4-chlorobenzoic acid is an aminobenzoic acid.

Related reactions

133 records
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Linked notes

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