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2-Amino-3,5-difluorobenzoic acid - 95%, high purity , CAS No.126674-78-0

COA

Grade & Purity:

≥95%

Cas Number: 126674-78-0
Molecular Weight: 173.1
PubChem CID: 14651973
PubChem SID: 488198712

In stock

Item Number

A180949

Grouped product items
SKU	Size	Availability	Price
A180949-250mg	250mg	3	$10.90
A180949-1g	1g	4	$20.90
A180949-5g	5g	5	$81.90
A180949-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$312.90

Discover 2-Amino-3,5-difluorobenzoic acid by Aladdin Scientific in 95% for only $10.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-Amino-3,5-difluorobenzoic acid \| 126674-78-0 \| 2-Amino-3,5-difluoro-benzoic acid \| Benzoic acid, 2-amino-3,5-difluoro- \| 2-Amino-3,5-difluorobenzoicacid \| MFCD01569541 \| SCHEMBL2060245 \| AMY2958 \| DTXSID10562624 \| NORJRQVQTYNLAO-UHFFFAOYSA-N \| CL8018 \| AKOS009259856 \| AB09248 \|
Specifications & Purity	≥95%
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	Halobenzoic acids 3-halobenzoic acids Benzoic acids Benzoyl derivatives Aniline and substituted anilines Fluorobenzenes Aryl fluorides Vinylogous amides Amino acids Carboxylic acids Primary amines Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous amide - Amino acid - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen 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

Names and Identifiers

Pubchem Sid	488198712
IUPAC Name	2-amino-3,5-difluorobenzoic acid
INCHI	InChI=1S/C7H5F2NO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
InChIKey	NORJRQVQTYNLAO-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1C(=O)O)N)F)F
Isomeric SMILES	C1=C(C=C(C(=C1C(=O)O)N)F)F
Molecular Weight	173.1
Reaxy-Rn	14243590
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14243590&ln=

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

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Lot Number	Certificate Type	Date	Item
E2323110	Certificate of Analysis	Dec 01, 2021	A180949

Chemical and Physical Properties

Molecular Weight	173.120 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	173.029 Da
Monoisotopic Mass	173.029 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188.000
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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