Methyl 2-amino-5-chlorobenzoate - CAS 5202-89-1

Name: Methyl 2-amino-5-chlorobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027688
Product Name:	Methyl 2-amino-5-chlorobenzoate
CAS:	5202-89-1
Synonyms:	methyl 2-amino-5-chlorobenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-amino-5-chlorobenzoate
Description:	Methyl 2-amino-5-chlorobenzoate (CAS# 5202-89-1) is a building block that has been used as a reactant for the preparation of bacterial RNA polymerase inhibitors.
Molecular Weight:	185.61
Molecular Formula:	C8H8ClNO2
Canonical SMILES:	COC(=O)C1=C(C=CC(=C1)Cl)N
InChI:	InChI=1S/C8H8ClNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3
InChI Key:	IGHVUURTQGBABT-UHFFFAOYSA-N
Boiling Point:	168-170 °C (22 mmHg)
Purity:	98 %
Density:	1.311 g/cm³
MDL:	MFCD00007837
LogP:	2.29000

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> 20,000 building blocks and intermediates from stock

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[87-88-7]C6H2Cl2O4
Chloranilic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113501766-A	Asymmetric synthesis method of multifunctional cyclopentenone derivative containing difluoroalkyl	20210707
CN-112538030-A	Low-temperature continuous reactor and working method for producing diazo compound	20201105
WO-2021116999-A1	Compounds and compositions for the treatment of tumors	20191211
CN-110724153-B	Quinazolinone derivative and application thereof	20190911
CN-111848601-A	Compound containing condensed ring, application thereof and pharmaceutical composition containing compound	20190430

PMID	Publication Date	Title	Journal
21754379	20110501	Methyl 4-(3-chloro-prop-oxy)benzoate	Acta crystallographica. Section E, Structure reports online
21589181	20101031	Methyl 2-amino-5-chloro-benzoate	Acta crystallographica. Section E, Structure reports online
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0243562
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.0243562
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3