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2,6-Difluorobenzoic acid - analytical standard, high purity , CAS No.385-00-2

COA

Grade & Purity:

analytical standard

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

In stock

Item Number

D110068

Grouped product items
SKU	Size	Availability	Price
D110068-100mg	100mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$268.90
D110068-500mg	500mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,206.90
D110068-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,170.90
D110068-2g	2g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$3,906.90

Basic Description

Synonyms	2,6-DIFLUOROBENZOIC ACID \| 385-00-2 \| Benzoic acid, 2,6-difluoro- \| 2,6-Difluorobenzoicacid \| MFCD00002411 \| 95B9M9KUY5 \| NSC-126584 \| BRN 0973774 \| EINECS 206-856-3 \| 2,6-difluoro benzoic acid \| NSC 126584 \| AI3-63060 \| NSC126584 \| Benzoic acid,6-difluoro- \| 2,6,-difluorobenzoic ac
Specifications & Purity	analytical standard
Shipped In	Normal
Grade	analytical standard

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

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):

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
I2312186	Certificate of Analysis	Jun 11, 2025	D110068
I2312185	Certificate of Analysis	Jun 11, 2025	D110068
I2312184	Certificate of Analysis	Jun 11, 2025	D110068
G1206017	Certificate of Analysis	Nov 10, 2022	D110068

Chemical and Physical Properties

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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