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

CAS: 85118-03-2 Cat. No.: D134868 Fórmula: C₇H₅F₂NO Peso molecular: 157.12 Beilstein Registry Number: 1946240 Número CE: 285-655-2

GRADE & PURITY ≥98%

Synonyms

PS-8832 | EINECS 285-655-2 | H10849 | 2,5-Difluorobenzamide | A841220 | 3,6-difluorobenzamide | FT-0610349 | MFCD00015548 | AKOS008982293 | 2,5-Difluorobenzamide, AldrichCPR | AM82952 | 2,5-Difluorobenzamide # | DTXSID40234241 | Benzamide, 2,5-difluoro- |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

PS-8832 | EINECS 285-655-2 | H10849 | 2,5-Difluorobenzamide | A841220 | 3,6-difluorobenzamide | FT-0610349 | MFCD00015548 | AKOS008982293 | 2,5-Difluorobenzamide, AldrichCPR | AM82952 | 2,5-Difluorobenzamide # | DTXSID40234241 | Benzamide, 2,5-difluoro- |

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488190142
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190142
• Sorrisos canónicos: C1=CC(=C(C=C1F)C(=O)N)F
• IUPAC Name: 2,5-difluorobenzamide
• InChIKey: BJKWHAILFUUIRT-UHFFFAOYSA-N
• INCHI: 1S/C7H5F2NO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11)
• SMILES isoméricas: C1=CC(=C(C=C1F)C(=O)N)F
• Peso molecular: 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe 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
• Classe: 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
• Descrição: 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

Data sources

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

Propriedades químicas e físicas

• Peso molecular: 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 Ų
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 85118-03-2, the molecular formula is C7H5F2NO, and the molecular weight is 157.12 g/mol. InChIKey BJKWHAILFUUIRT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.