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2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid - ≥97%, high purity , CAS No.1186050-58-7

COA

Grade & Purity:

≥97%

Cas Number: 1186050-58-7
Molecular Weight: 207.17
MDL number: MFCD23135320
PubChem CID: 67086627
PubChem SID: 504771874

In stock

Item Number

F302530

Grouped product items
SKU	Size	Availability	Price	Qty
F302530-1g	1g	2	$59.90
F302530-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$197.90

Basic Description

Synonyms	2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid \| 1186050-58-7 \| 2-fluoro-6-(triazol-2-yl)benzoic acid \| MFCD23135320 \| 2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoicacid \| SCHEMBL1586205 \| DTXSID60736398 \| NTPOZDBAGMLNQA-UHFFFAOYSA-N \| AMY30864 \| AKOS016004547 \| DS-3715 \| SY069064 \|
Specifications & Purity	≥97%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Triazoles
      - Level5 Phenyltriazoles
        Level6 Phenyl-1,2,3-triazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Triazoles
Intermediate Tree Nodes	Phenyltriazoles
Direct Parent	Phenyl-1,2,3-triazoles
Alternative Parents	Halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Fluorobenzenes Aryl fluorides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenyl-1,2,3-triazole - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoic acid or derivatives - 1-carboxy-2-haloaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Vinylogous halide - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group.
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	504771874
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771874
IUPAC Name	2-fluoro-6-(triazol-2-yl)benzoic acid
INCHI	InChI=1S/C9H6FN3O2/c10-6-2-1-3-7(8(6)9(14)15)13-11-4-5-12-13/h1-5H,(H,14,15)
InChIKey	NTPOZDBAGMLNQA-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)F)C(=O)O)N2N=CC=N2
Isomeric SMILES	C1=CC(=C(C(=C1)F)C(=O)O)N2N=CC=N2
Molecular Weight	207.17
Reaxy-Rn	21248673
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21248673&ln=

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

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3 results found

Lot Number	Certificate Type	Date	Item
E2527055	Certificate of Analysis	Jun 16, 2025	F302530
H2126186	Certificate of Analysis	Jun 17, 2024	F302530
H2126187	Certificate of Analysis	Jun 17, 2024	F302530

Chemical and Physical Properties

Molecular Weight	207.160 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	207.044 Da
Monoisotopic Mass	207.044 Da
Topological Polar Surface Area	68.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	246.000
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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