3-Amino-4-chlorobenzoic Acid - CAS 2840-28-0

Catalog:	BB019839
Product Name:	3-Amino-4-chlorobenzoic Acid
CAS:	2840-28-0
Synonyms:	3-amino-4-chlorobenzoic acid; 3-amino-4-chlorobenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-amino-4-chlorobenzoic acid
Description:	3-Amino-4-chlorobenzoic Acid (CAS# 2840-28-0) is a useful reagent for preparation of novel bis-triazolyl-aryl-benzimidazole-thiol derivatives.
Molecular Weight:	171.58
Molecular Formula:	C7H6ClNO2
Canonical SMILES:	C1=CC(=C(C=C1C(=O)O)N)Cl
InChI:	InChI=1S/C7H6ClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
InChI Key:	DMGFVJVLVZOSOE-UHFFFAOYSA-N
Boiling Point:	358.7 °C at 760 mmHg
Density:	1.476 g/cm³
MDL:	MFCD00007671
LogP:	2.20160

Publication Number	Title	Priority Date
CN-112266331-A	Preparation method of 3-amino-4-chlorobenzoic acid cetyl ester	20201214
WO-2021211784-A2	Method of treating coronavirus infections	20200415
WO-2021155194-A1	Therapeutic peptides	20200129
WO-2021097256-A1	Cxcr4 antagonist peptides	20191114
WO-2021081110-A2	Peptides and use thereof	20191022

PMID	Publication Date	Title	Journal
14985810	20040307	Synthesis of the 2,3,4-trisubstituted indole fragments of nosiheptide and glycothiohexide	Organic & biomolecular chemistry

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H315 (33.58%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0087061
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	171.0087061
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8