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3,4-Difluorobenzamide - 98%, high purity , CAS No.85118-04-3

COA

Grade & Purity:

≥98%

Cas Number: 85118-04-3
Molecular Weight: 157.12
MDL number: MFCD00015549
PubChem CID: 522832
PubChem SID: 504759132

In stock

Item Number

D155096

Grouped product items
SKU	Size	Availability	Price
D155096-1g	1g	3	$12.90
D155096-5g	5g	2	$47.90
D155096-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$212.90

Basic Description

Synonyms	3,4-Difluorobenzamide \| 85118-04-3 \| MFCD00015549 \| Benzamide, 3,4-fluoro- \| 2HO \| EINECS 285-656-8 \| 3,4-diflurobenzamide \| 3,4-Difluorobenzamide # \| SCHEMBL289633 \| 3,4-Difluorobenzamide, 97% \| CHEMBL3235578 \| SCHEMBL22380829 \| CMWOHNIHUBDEAG-UHFFFAOYSA- \| DTXSID00234242 \| HMS1776
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 4-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	4-halobenzoic acids and derivatives
Alternative Parents	3-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Primary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl 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 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504759132
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759132
IUPAC Name	3,4-difluorobenzamide
INCHI	InChI=1S/C7H5F2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
InChIKey	CMWOHNIHUBDEAG-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(=O)N)F)F
Isomeric SMILES	C1=CC(=C(C=C1C(=O)N)F)F
WGK Germany	3
Molecular Weight	157.12
Reaxy-Rn	4177621
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4177621&ln=

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

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
F1913250	Certificate of Analysis	Apr 11, 2023	D155096
F2328242	Certificate of Analysis	Apr 11, 2023	D155096

Chemical and Physical Properties

Melt Point(°C)	129-133℃
Molecular Weight	157.120 g/mol
XLogP3	1.200
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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