Bromoacetyl bromide - ≥97% , CAS No.598-21-0

CAS: 598-21-0 Cat. No.: B106897 Formule: C₂H₂Br₂O Poids moléculaire: 201.84 Beilstein Registry Number: 605440 Numéro CE: 209-923-5

QUALITÉ & PURETÉ ≥97%

Synonyms

BP-31082 | DTXSID1060506 | 2-bromoacetylbromide | bromo acetylbromide | LSTRKXWIZZZYAS-UHFFFAOYSA- | SCHEMBL34263 | AKOS000121172 | bromacetylbromide | bromoacetic acid bromide | C2H2Br2O | BCP28220 | bromoacetylbromide | bromo-acetylbromide | bromoacetyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Spécifications

Synonymes

BP-31082 | DTXSID1060506 | 2-bromoacetylbromide | bromo acetylbromide | LSTRKXWIZZZYAS-UHFFFAOYSA- | SCHEMBL34263 | AKOS000121172 | bromacetylbromide | bromoacetic acid bromide | C2H2Br2O | BCP28220 | bromoacetylbromide | bromo-acetylbromide | bromoacetyl

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice,FedEx DG Service

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

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504753745

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753745

Sourires canoniques

C(C(=O)Br)Br

IUPAC Name

2-bromoacetyl bromide

InChIKey

LSTRKXWIZZZYAS-UHFFFAOYSA-N

INCHI

1S/C2H2Br2O/c3-1-2(4)5/h1H2

Isomères SMILES

C(C(=O)Br)Br

WGK Allemagne

3

Numéro ONU

2513

Groupe d'emballage

II

Poids moléculaire

201.84

Beilstein

605440

Reaxy-Rn

605440

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605440&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: Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl bromide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Carbonyl group - Alkyl halide - 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

• Solubilité: Immiscible with water.
• Sensibilité: light sensitive,Moisture sensitive
• Indice de réfraction: 1.545-1.547
• Point d'éclair (°F): 221 °F
• Point d'éclair (°C): 105 °C
• Point d'ébullition (°C): 147-150°C
• Poids moléculaire: 201.840 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 201.845 Da
• Monoisotopic Mass: 199.847 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 42.900
• 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