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

CAS: 598-21-0 Cat. No.: B106897 分子式: C₂H₂Br₂O 分子量: 201.84 Beilstein Registry Number: 605440 EC番号: 209-923-5

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥97%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice,FedEx DG Service

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

504753745

パブケム・シド・ウル

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

カノニカル・スマイル

C(C(=O)Br)Br

IUPAC Name

2-bromoacetyl bromide

InChIKey

LSTRKXWIZZZYAS-UHFFFAOYSA-N

INCHI

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

異性体SMILES

C(C(=O)Br)Br

WGKドイツ

3

UN番号

2513

包装グループ

II

分子量

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
    • 分類 Acyl halides
      • Subclass Acyl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Immiscible with water.
• 感度: light sensitive,Moisture sensitive
• 屈折率: 1.545-1.547
• 引火点（°F）: 221 °F
• 引火点（°C）: 105 °C
• 沸点（°C）: 147-150°C
• 分子量: 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