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2-Chloro-6-fluoro-3-methylbenzoic acid - ≥97%, high purity , CAS No.32890-89-4

COA

Grade & Purity:

≥95%

Cas Number: 32890-89-4
Molecular Weight: 188.59
PubChem CID: 2773668

In stock

Item Number

C700728

Grouped product items
SKU	Size	Availability	Price	Qty
C700728-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$179.90
C700728-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$673.90

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Fluorine containing blocks (199)

Basic Description

Synonyms	2-Chloro-6-fluoro-3-methylbenzoic acid \| MFCD01631359 \| 2-chloro-6-fluoro-3-methyl-benzoic Acid \| SCHEMBL2430970 \| AMY6376 \| DTXSID10378626 \| VCNCNVOMXWTBZ-UHFFFAOYSA-N \| BBL101322 \| EN300-209583 \| 2-chloranyl-6-fluoranyl-3-methyl-benzoic acid \| DB-020874
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	2-halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Toluenes Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Halobenzoic acid - 2-halobenzoic acid - 2-halobenzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Toluene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - 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	2-chloro-6-fluoro-3-methylbenzoic acid
INCHI	InChI=1S/C8H6ClFO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3H,1H3,(H,11,12)
InChIKey	VCNCNVOMGXWTBZ-UHFFFAOYSA-N
Smiles	CC1=C(C(=C(C=C1)F)C(=O)O)Cl
Isomeric SMILES	CC1=C(C(=C(C=C1)F)C(=O)O)Cl
PubChem CID	2773668
Molecular Weight	188.59

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
B2528272	Certificate of Analysis	Sep 26, 2024	C700728
B2528273	Certificate of Analysis	Sep 26, 2024	C700728
B2528274	Certificate of Analysis	Sep 26, 2024	C700728
B2528275	Certificate of Analysis	Sep 26, 2024	C700728

Chemical and Physical Properties

Sensitivity	Light sensitive
Molecular Weight	188.580 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	188.004 Da
Monoisotopic Mass	188.004 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	186.000
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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