Acetyl bromide - ≥97% , CAS No.506-96-7

CAS: 506-96-7 Cat. No.: A109619 Fórmula: C₂H₃BrO Peso molecular: 122.95 Beilstein Registry Number: 1697546 Número CE: 208-061-7

GRAU & PUREZA ≥97%

Synonyms

C2H3BrO | HSDB 663 | FT-0621822 | Ethanoyl bromide | InChI=1/C2H3BrO/c1-2(3)4/h1H | AMY21856 | F0001-1319 | EINECS 208-061-7 | A0080 | EC 208-061-7 | DTXSID5060140 | Acetic acid, bromide | MFCD00000114 | AcBr | A828254 | 4-02-00-00398 (Beilstein Handbook

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Visão geral

Product Introduction

Acetyl bromide effectively mediates Nazarov cyclization of a cross-conjugated pentadienone to give (±)-methyl rocaglate. It is added to dissolve Arabidopsis lignin during acetyl bromide method for rapid microscale determination of lignin content in Arabidopsis.

Product Usage

Acetyl bromide can be used:

• In the quantification of lignin in cell wall residues of Arabidopsis.

• In the total synthesis of cinchona alkaloids named quinidine and quinine.

• To prepare 9,10-diarylanthracenes and triarylmethanes by reacting with arenes and various aromatic aldehydes using ZnBr2/SiO2.

• To prepare glycosyl bromides from free sugars or their peracetates.

Especificações

Sinónimos

C2H3BrO | HSDB 663 | FT-0621822 | Ethanoyl bromide | InChI=1/C2H3BrO/c1-2(3)4/h1H | AMY21856 | F0001-1319 | EINECS 208-061-7 | A0080 | EC 208-061-7 | DTXSID5060140 | Acetic acid, bromide | MFCD00000114 | AcBr | A828254 | 4-02-00-00398 (Beilstein Handbook

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Argon charged

Enviado em

FedEx DG Service

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504751961

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751961

Sorrisos canónicos

CC(=O)Br

IUPAC Name

acetyl bromide

InChIKey

FXXACINHVKSMDR-UHFFFAOYSA-N

INCHI

1S/C2H3BrO/c1-2(3)4/h1H3

SMILES isoméricas

CC(=O)Br

WGK Alemanha

3

RTECS

AO5955000

Número UN

1716

Grupo de embalagem

II

Peso molecular

122.95

Beilstein

1697546

Reaxy-Rn

1697546

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697546&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
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl bromide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Carbonyl group - Aliphatic acyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Miscible with ether, chloroform, benzene and acetone.
• Sensibilidade: Light & Moisture Sensitive
• Índice de refração: 1.4485-1.4505
• Ponto de inflamação (°F): 230 °F
• Ponto de inflamação (°C): 110 °C
• Ponto de ebulição (°C): 75-77°C
• Ponto de fusão (°C): -96°C
• Peso molecular: 122.950 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 121.937 Da
• Monoisotopic Mass: 121.937 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 33.000
• 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