Bromodifluoroacetyl bromide - ≥97% , CAS No.1796-12-9

CAS: 1796-12-9 Cat. No.: B346228 Formule: C₂Br₂F₂O Poids moléculaire: 237.826 Numéro CE: 671-810-5

GRADE & PURITY ≥97%

Synonyms

FT-0623241 | Acetyl bromide, 2-bromo-2,2-difluoro- | SCHEMBL2241749 | J-011466 | AKOS005063935 | Bromodifluoroacetyl bromide | C2Br2F2O | FRTUTWXODRBCOL-UHFFFAOYSA-N | 2-bromo-2,2-difluoroacetyl bromide | DTXSID30371235 | Bromodifluoroacetylbromide | MFCD

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

FT-0623241 | Acetyl bromide, 2-bromo-2,2-difluoro- | SCHEMBL2241749 | J-011466 | AKOS005063935 | Bromodifluoroacetyl bromide | C2Br2F2O | FRTUTWXODRBCOL-UHFFFAOYSA-N | 2-bromo-2,2-difluoroacetyl bromide | DTXSID30371235 | Bromodifluoroacetylbromide | MFCD

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

508814528

Sourires canoniques

C(=O)(C(F)(F)Br)Br

IUPAC Name

2-bromo-2,2-difluoroacetyl bromide

InChIKey

FRTUTWXODRBCOL-UHFFFAOYSA-N

INCHI

1S/C2Br2F2O/c3-1(7)2(4,5)6

Isomères SMILES

C(=O)(C(F)(F)Br)Br

Numéro ONU

1760

Groupe d'emballage

II

Poids moléculaire

237.826

Reaxy-Rn

3029535

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3029535&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Acyl halides
      • Subclass Acyl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Acyl halides
• Subclass: Acyl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl bromides
• Alternative Parents: Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl bromide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organobromide - Carbonyl group - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyl bromides. These are organic compounds containing the functional group -CO-Br.
• 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

Propriétés chimiques et physiques

• Indice de réfraction: n20D1.48 (Predicted)
• Point d'ébullition (°C): 70-79° C
• Point de fusion (°C): -4.95° C (Predicted)
• Poids moléculaire: 237.830 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 237.826 Da
• Monoisotopic Mass: 235.828 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 91.700
• 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