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2-Trifluoromethoxy-5-fluorobenzoic acid - ≥97%, high purity , CAS No.1092460-83-7

COA

Grade & Purity:

≥97%

Cas Number: 1092460-83-7
Molecular Weight: 224.11
PubChem CID: 54772407

In stock

Item Number

T733899

Grouped product items
SKU	Size	Availability	Price
T733899-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$38.90
T733899-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$106.90
T733899-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$528.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	Halobenzoic acids
Alternative Parents	3-halobenzoic acids Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Halogenated fatty acids Fluorobenzenes Branched fatty acids Unsaturated fatty acids Trihalomethanes Vinyl fluorides Monocarboxylic acids and derivatives Fluoroalkenes Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Halobenzoic acid - 3-halobenzoic acid - 3-halobenzoic acid or derivatives - Benzoic acid - Phenoxy compound - 1-carboxy-2-haloaromatic compound - Phenol ether - Benzoyl - Halogenated fatty acid - Halobenzene - Fluorobenzene - Branched fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Trihalomethane - Fluoroalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
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	5-fluoro-2-(trifluoromethoxy)benzoic acid
INCHI	InChI=1S/C8H4F4O3/c9-4-1-2-6(15-8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14)
InChIKey	JRQMLAPRSGFPRF-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1F)C(=O)O)OC(F)(F)F
Isomeric SMILES	C1=CC(=C(C=C1F)C(=O)O)OC(F)(F)F
PubChem CID	54772407
Molecular Weight	224.11

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)	89-93
Molecular Weight	224.110 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	224.01 Da
Monoisotopic Mass	224.01 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	241.000
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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