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N-(3-Chlorophenyl)anthranilic Acid - 98.0%, high purity , CAS No.13278-36-9

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N-(3-Chlorophenyl)anthranilic Acid - 98.0%, high purity , CAS No.13278-36-9

COA

Grade & Purity:

≥98%

Cas Number: 13278-36-9
Molecular Weight: 247.68
Beilstein Registry Number: 14(3)899
MDL number: MFCD01928172
PubChem CID: 83293

In stock

Item Number

N159398

Grouped product items
SKU	Size	Availability	Price	Qty
N159398-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90
N159398-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$42.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	MFCD00456999 \| MFCD01928172 \| N-(M-CHLOROPHENYL)ANTHRANILIC ACID [WHO-DD] \| DTXSID70157792 \| 2-(3-chlorophenylamino)benzoic acid \| AS-64502 \| (1alpha,3alpha,5alpha)-1,3,5-Cyclohexanetriol \| C2065 \| D89484 \| N-(m-Chlorophenyl)anthranilic acid \| KUC112562N
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Aminobenzoic acids and derivatives
        Level6 Aminobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Aminobenzoic acids and derivatives
Direct Parent	Aminobenzoic acids
Alternative Parents	Benzoic acids Benzoyl derivatives Aniline and substituted anilines Chlorobenzenes Aryl chlorides Vinylogous amides Amino acids Secondary amines Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Amino acid or derivatives - Amino acid - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Amine - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
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

Associated Targets(Human)

AKR1C2 Tchem Aldo-keto reductase family 1 member C2 (1 Activities)

Discover Target: AKR1C2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AKR1C3 Tchem Aldo-keto reductase family 1 member C3 (1 Activities)

Discover Target: AKR1C3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AKR1C3 Tchem Aldo-keto-reductase family 1 member C3 (1414 Activities)

Discover Target: AKR1C3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AKR1C2 Tchem Aldo-keto reductase family 1 member C2 (639 Activities)

Discover Target: AKR1C2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

H4 (48 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2-(3-chloroanilino)benzoic acid
INCHI	InChI=1S/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17)
InChIKey	OVMWPVYEBVFZHM-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C(=O)O)NC2=CC(=CC=C2)Cl
Isomeric SMILES	C1=CC=C(C(=C1)C(=O)O)NC2=CC(=CC=C2)Cl
Molecular Weight	247.68
Beilstein	14(3)899
Reaxy-Rn	652385
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=652385&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
E2421532	Certificate of Analysis	Apr 13, 2024	N159398

Chemical and Physical Properties

Solubility	Soluble in methanol
Melt Point(°C)	169.0 to 173.0 °C
Molecular Weight	247.670 g/mol
XLogP3	5.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	247.04 Da
Monoisotopic Mass	247.04 Da
Topological Polar Surface Area	49.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	272.000
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

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