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3-Amino-4-fluorobenzoic Acid - ≥97.0%(T), high purity , CAS No.2365-85-7

COA

Grade & Purity:

≥97%(T)

Cas Number: 2365-85-7
Molecular Weight: 155.13
Beilstein Registry Number: 14(3)1015
MDL number: MFCD00130055
PubChem CID: 75396
PubChem SID: 488185091

In stock

Item Number

A133076

Grouped product items
SKU	Size	Availability	Price
A133076-1g	1g	4	$20.90
A133076-5g	5g	5	$76.90
A133076-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$346.90
A133076-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,246.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	NSC 127014 \| AKOS001430836 \| CK1082 \| W-107389 \| 1-trimethylsilylimidazole \| 3-Amino-4-fluorobenzoic acid \| 3-amino-4-fluoro-benzoic acid \| BR 700 \| EN300-29498 \| Butamirate (citrate) \| MFCD00130055 \| BB 0257431 \| 3-Amino-4-fluorobenzoic acid, AldrichCPR
Specifications & Purity	≥97%(T)
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	4-halobenzoic acids Halobenzoic acids Benzoic acids Benzoyl derivatives Aniline and substituted anilines Fluorobenzenes Aryl fluorides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Primary amines Organooxygen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Primary amine - Organopnictogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organooxygen 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

Pubchem Sid	488185091
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185091
IUPAC Name	3-amino-4-fluorobenzoic acid
INCHI	InChI=1S/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
InChIKey	WFSPEVFSRUTRCN-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(=O)O)N)F
Isomeric SMILES	C1=CC(=C(C=C1C(=O)O)N)F
Molecular Weight	155.13
Beilstein	14(3)1015
Reaxy-Rn	2829721
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2829721&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
G2127011	Certificate of Analysis	May 10, 2023	A133076
G2127012	Certificate of Analysis	May 10, 2023	A133076
C2304211	Certificate of Analysis	Mar 11, 2023	A133076
C2304210	Certificate of Analysis	Mar 11, 2023	A133076
E1515029	Certificate of Analysis	Nov 11, 2022	A133076

Chemical and Physical Properties

Solubility	Soluble in Methanol
Melt Point(°C)	184 °C
Molecular Weight	155.130 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	155.038 Da
Monoisotopic Mass	155.038 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163.000
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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