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2,5-Difluorobenzamide - 98%, high purity , CAS No.85118-03-2

COA

Grade & Purity:

≥98%

Cas Number: 85118-03-2
Molecular Weight: 157.12
Beilstein Registry Number: 1946240
MDL number: MFCD00015548
PubChem CID: 522831
PubChem SID: 488190142

In stock

Item Number

D134868

Grouped product items
SKU	Size	Availability	Price
D134868-1g	1g	10	$9.90
D134868-5g	5g	1	$16.90
D134868-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$53.90
D134868-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$208.90

Basic Description

Synonyms	2,5-Difluorobenzamide \| 85118-03-2 \| Benzamide, 2,5-difluoro- \| EINECS 285-655-2 \| MFCD00015548 \| 3,6-difluorobenzamide \| 2,5-Difluorobenzamide # \| 2,5-bis(fluoranyl)benzamide \| SCHEMBL366058 \| DTXSID40234241 \| 2,5-Difluorobenzamide, AldrichCPR \| AKOS008982293 \| AM82952 \| CS-W0179
Specifications & Purity	≥98%
Shipped In	Normal

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 3-halobenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	3-halobenzoic acids and derivatives
Alternative Parents	2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Primary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of 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	488190142
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190142
IUPAC Name	2,5-difluorobenzamide
INCHI	InChI=1S/C7H5F2NO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11)
InChIKey	BJKWHAILFUUIRT-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1F)C(=O)N)F
Isomeric SMILES	C1=CC(=C(C=C1F)C(=O)N)F
Molecular Weight	157.12
Beilstein	1946240
Reaxy-Rn	1946240
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1946240&ln=

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.

2 results found

Lot Number	Certificate Type	Date	Item
J1625057	Certificate of Analysis	Feb 20, 2024	D134868
D23061298	Certificate of Analysis	May 10, 2022	D134868

Chemical and Physical Properties

Molecular Weight	157.120 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	157.034 Da
Monoisotopic Mass	157.034 Da
Topological Polar Surface Area	43.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163.000
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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