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Methyl 2-amino-4-chlorobenzoate - 98%, high purity , CAS No.5900-58-3

Grade & Purity:

≥98%

Cas Number: 5900-58-3
Molecular Weight: 185.61
Beilstein Registry Number: 1072895
EC Number: 227-593-0
MDL number: MFCD00017568
PubChem CID: 80001

In stock

Item Number

M134073

Grouped product items
SKU	Size	Availability	Price
M134073-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$39.90
M134073-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$61.90
M134073-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$137.90
M134073-50g	50g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$200.90
M134073-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$360.90

Synonyms	Methyl 2-amino-4-chlorobenzoate \| 5900-58-3 \| Methyl 4-chloroanthranilate \| MFCD00017568 \| Benzoic acid, 2-amino-4-chloro-, methyl ester \| 2-amino-4-chlorobenzoic acid methyl ester \| 2-amino-4-chloro-benzoic acid methyl ester \| CHEMBL1234477 \| 4-chloroanthranilic acid me
Specifications & Purity	≥98%
Shipped In	Normal

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	4-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous amides Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds Primary amines
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid or derivatives - Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

IUPAC Name	methyl 2-amino-4-chlorobenzoate
INCHI	InChI=1S/C8H8ClNO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3
InChIKey	YPSSCICDVDOEAI-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C=C(C=C1)Cl)N
Isomeric SMILES	COC(=O)C1=C(C=C(C=C1)Cl)N
WGK Germany	3
Molecular Weight	185.61
Beilstein	1072895
Reaxy-Rn	1072895
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072895&ln=

Lot Number	Certificate Type	Date	Item
I2224380	Certificate of Analysis	Jul 11, 2024	M134073
I2224386	Certificate of Analysis	Jul 11, 2024	M134073
I2224385	Certificate of Analysis	Jul 11, 2024	M134073
I2224387	Certificate of Analysis	Jul 27, 2022	M134073
I2224388	Certificate of Analysis	Jul 27, 2022	M134073

Molecular Weight	185.610 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	185.024 Da
Monoisotopic Mass	185.024 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Methyl 2-amino-4-chlorobenzoate - 98%, high purity , CAS No.5900-58-3

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