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2,6-Difluorobenzoic acid - 98%, high purity , CAS No.385-00-2

COA

Grade & Purity:

≥98%

Cas Number: 385-00-2
Molecular Weight: 158.1
Beilstein Registry Number: 973774
EC Number: 206-856-3
MDL number: MFCD00002411
PubChem CID: 9796
PubChem SID: 488181027

In stock

Item Number

D110069

Grouped product items
SKU	Size	Availability	Price
D110069-5g	5g	2	$20.90
D110069-25g	25g	3	$80.90
D110069-100g	100g	4	$290.90
D110069-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,308.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	AC-2898 \| NSC126584 \| NSC-126584 \| 2,6,-difluorobenzoic acid \| FT-0610648 \| A856661 \| 2,6-difluorobenzoate calcium dihydrate \| 2,6-DIFLUOROBENZOIC ACID \| 2,6-difluoro-benzoic acid \| SY003297 \| 95B9M9KUY5 \| EINECS 206-856-3 \| AM62241 \| F2191-0055 \| NSC 126
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	2,6-Difluorobenzoic acid is the major degradation product of diflubenzuron

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 Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Fluorobenzenes Aryl fluorides Vinylogous halides Monocarboxylic acids and derivatives Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Halobenzoic acid - 2-halobenzoic acid - 2-halobenzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organofluoride - 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

Pubchem Sid	488181027
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181027
IUPAC Name	2,6-difluorobenzoic acid
INCHI	InChI=1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChIKey	ONOTYLMNTZNAQZ-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)F)C(=O)O)F
Isomeric SMILES	C1=CC(=C(C(=C1)F)C(=O)O)F
WGK Germany	3
RTECS	DG8559000
Molecular Weight	158.1
Beilstein	973774
Reaxy-Rn	973774
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=973774&ln=

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

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

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9 results found

Lot Number	Certificate Type	Date	Item
G1330030	Certificate of Analysis	Feb 08, 2025	D110069
G2017106	Certificate of Analysis	May 07, 2024	D110069
G2017105	Certificate of Analysis	May 07, 2024	D110069
A2404310	Certificate of Analysis	Nov 25, 2023	D110069
A2404817	Certificate of Analysis	Nov 25, 2023	D110069
A2404818	Certificate of Analysis	Nov 25, 2023	D110069
I2321033	Certificate of Analysis	Sep 18, 2021	D110069
F23161070	Certificate of Analysis	Sep 18, 2021	D110069
F23161068	Certificate of Analysis	Sep 18, 2021	D110069

Chemical and Physical Properties

Solubility	Soluble in methanol
Boil Point(°C)	77 °C/13 mmHg
Melt Point(°C)	158°C-160°C
Molecular Weight	158.100 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	158.018 Da
Monoisotopic Mass	158.018 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151.000
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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