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

CAS: 598-21-0 Cat. No.: B106897 분자식: C₂H₂Br₂O 분자량: 201.84 Beilstein Registry Number: 605440 EC 번호: 209-923-5

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice,FedEx DG Service

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순수함

≥97%

이름과 식별자

Pubchem Sid

504753745

Pubchem Sid Url

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

정식 스마일

C(C(=O)Br)Br

IUPAC Name

2-bromoacetyl bromide

InChIKey

LSTRKXWIZZZYAS-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

C(C(=O)Br)Br

WGK 독일

3

UN 번호

2513

포장 그룹

II

분자량

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
    • 분류 Acyl halides
      • Subclass Acyl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Immiscible with water.
• 감도: light sensitive,Moisture sensitive
• 굴절률: 1.545-1.547
• 발화점(°F): 221 °F
• 발화점(°C): 105 °C
• 끓는점(°C): 147-150°C
• 분자량: 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