2-Bromocumene - ≥97% , CAS No.7073-94-1

CAS: 7073-94-1 Cat. No.: B304453 Fórmula: C₉H₁₁Br Peso molecular: 199.1 Número CE: 230-370-0

GRADE & PURITY ≥97%

Synonyms

AS-14376 | 1-Bromo-2-(1-methylethyl)benzene | 2-Isopropylbromobenzene | 2-bromoisopropyl benzene | O-BROMOCUMENE | SCHEMBL255259 | 2-Bromoisopropylbenzene | AM10833 | MFCD00051567 | 1-Bromo-2-i-propylbenzene | DTXSID80220986 | AC-176 | W-104543 | EINECS 2

Storage

Room temperature,Desiccated

Shipped In

Normal

Visão geral

Application：
1-Bromo-2-isopropylbenzene is used as pharmaceutical intermediates.

Specifications

Sinónimos

AS-14376 | 1-Bromo-2-(1-methylethyl)benzene | 2-Isopropylbromobenzene | 2-bromoisopropyl benzene | O-BROMOCUMENE | SCHEMBL255259 | 2-Bromoisopropylbenzene | AM10833 | MFCD00051567 | 1-Bromo-2-i-propylbenzene | DTXSID80220986 | AC-176 | W-104543 | EINECS 2

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488182827

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182827

Sorrisos canónicos

CC(C)C1=CC=CC=C1Br

IUPAC Name

1-bromo-2-propan-2-ylbenzene

InChIKey

LECYCYNAEJDSIL-UHFFFAOYSA-N

INCHI

1S/C9H11Br/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3

SMILES isoméricas

CC(C)C1=CC=CC=C1Br

Peso molecular

199.1

Reaxy-Rn

1857014

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1857014&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Cumenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Cumene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
• 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: Insoluble in water.
• Índice de refração: 1.54
• Ponto de inflamação (°C): 82 °C
• Ponto de ebulição (°C): 210°C(lit.)
• Peso molecular: 199.090 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 198.004 Da
• Monoisotopic Mass: 198.004 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 98.900
• 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