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

CAS: 1006-34-4 Cat. No.: B178708 Formule: C₇H₅BrFNO Poids moléculaire: 218.02 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Sourires canoniques

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)

Isomères SMILES

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

Poids moléculaire

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
    • 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 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
• 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

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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Poids moléculaire: 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

Foire aux questions

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.