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2-Amino-3,4,5,6-tetrafluorobenzoic acid - 98%, high purity , CAS No.1765-42-0

COA

Grade & Purity:

≥98%

Cas Number: 1765-42-0
Molecular Weight: 209.1
PubChem CID: 688185

In stock

Item Number

A167964

Grouped product items
SKU	Size	Availability	Price	Qty
A167964-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$162.90
A167964-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$447.90

Basic Description

Synonyms	2-Amino-3,4,5,6-tetrafluorobenzoic acid \| 1765-42-0 \| Tetrafluoroanthranilic acid \| 6-Amino-2,3,4,5-tetrafluorobenzoic acid \| Benzoic acid, 2-amino-3,4,5,6-tetrafluoro- \| SCHEMBL6036813 \| DTXSID50350820 \| CNSGPAMLXMBLNA-UHFFFAOYSA-N \| MFCD00077592 \| 3,4,5,6-Tetrafluoroanth
Specifications & Purity	≥98%
Storage Temp	Room temperature
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	2-halobenzoic acids 3-halobenzoic acids 4-halobenzoic acids Halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Aniline and substituted anilines Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous amides Vinylogous halides Amino acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Primary amines Organic oxides Organofluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - 1-carboxy-2-haloaromatic compound - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Vinylogous amide - Vinylogous halide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - 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

Names and Identifiers

IUPAC Name	2-amino-3,4,5,6-tetrafluorobenzoic acid
INCHI	InChI=1S/C7H3F4NO2/c8-2-1(7(13)14)6(12)5(11)4(10)3(2)9/h12H2,(H,13,14)
InChIKey	CNSGPAMLXMBLNA-UHFFFAOYSA-N
Smiles	C1(=C(C(=C(C(=C1F)F)F)F)N)C(=O)O
Isomeric SMILES	C1(=C(C(=C(C(=C1F)F)F)F)N)C(=O)O
Molecular Weight	209.1
Reaxy-Rn	2121137
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2121137&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	141-143 °C
Molecular Weight	209.100 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	209.01 Da
Monoisotopic Mass	209.01 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	240.000
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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