2-Bromo-5-fluorobenzamide - ≥97% , CAS No.1006-34-4

CAS: 1006-34-4 Cat. No.: B178708 Fórmula: C₇H₅BrFNO Peso molecular: 218.02 Número EC: 169-607-7

GRADE & PURITY ≥97%

Synonyms

A930033 | PS-7915 | SY180035 | Z101186138 | DTXSID20380952 | OCKACIBALIJPNT-UHFFFAOYSA-N | s10813 | 2-bromo-5-fluorobenzamide | Benzamide, 2-bromo-5-fluoro- | EN300-61280 | MFCD03094322 | AKOS000173481 | SCHEMBL2523960 | 2-Bromo-5-fluorobenzamide;Benzamid

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

A930033 | PS-7915 | SY180035 | Z101186138 | DTXSID20380952 | OCKACIBALIJPNT-UHFFFAOYSA-N | s10813 | 2-bromo-5-fluorobenzamide | Benzamide, 2-bromo-5-fluoro- | EN300-61280 | MFCD03094322 | AKOS000173481 | SCHEMBL2523960 | 2-Bromo-5-fluorobenzamide;Benzamid

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

C1=CC(=C(C=C1F)C(=O)N)Br

IUPAC Name

2-bromo-5-fluorobenzamide

InChIKey

OCKACIBALIJPNT-UHFFFAOYSA-N

INCHI

1S/C7H5BrFNO/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H2,10,11)

Isómeros SMILES

C1=CC(=C(C=C1F)C(=O)N)Br

Peso molecular

218.02

Reaxy-Rn

2614289

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2614289&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase 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
• Clase: 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 Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Vinylogous halides Primary carboxylic acid amides Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzoyl - Bromobenzene - Fluorobenzene - Halobenzene - Aryl halide - Aryl bromide - Aryl fluoride - Vinylogous halide - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Peso molecular: 218.020 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 216.954 Da
• Monoisotopic Mass: 216.954 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1006-34-4, the molecular formula is C7H5BrFNO, and the molecular weight is 218.02 g/mol. InChIKey OCKACIBALIJPNT-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.