3-Bromocumene - ≥98%(GC) , CAS No.5433-01-2

CAS: 5433-01-2 Cat. No.: B134202 Formule: C₉H₁₁Br Poids moléculaire: 199.09 Beilstein Registry Number: 5(4)994 Numéro CE: 675-658-0

GRADE & PURITY ≥98%(GC)

Synonyms

1-Bromo-3-isopropylbenzene;3-Bromoisopropylbenzene | AC-18302 | SY050226 | 1-BROMO-3-(1-METHYLETHYL)BENZENE | FT-0635703 | 3-isopropylbromobenzene | m-Bromocumene | 1-bromo-3-isopropylbenzene | 1-bromo-3-isopropyl-benzene | 3-bromoisopropylbenzene | m-bro

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1-Bromo-3-isopropylbenzene;3-Bromoisopropylbenzene | AC-18302 | SY050226 | 1-BROMO-3-(1-METHYLETHYL)BENZENE | FT-0635703 | 3-isopropylbromobenzene | m-Bromocumene | 1-bromo-3-isopropylbenzene | 1-bromo-3-isopropyl-benzene | 3-bromoisopropylbenzene | m-bro

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488187998
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187998
• Sourires canoniques: CC(C)C1=CC(=CC=C1)Br
• IUPAC Name: 1-bromo-3-propan-2-ylbenzene
• InChIKey: GBSGGFCCQZUXNB-UHFFFAOYSA-N
• INCHI: 1S/C9H11Br/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,1-2H3
• Isomères SMILES: CC(C)C1=CC(=CC=C1)Br
• Poids moléculaire: 199.09
• Beilstein: 5(4)994
• Reaxy-Rn: 1858092
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1858092&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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Indice de réfraction: 1.54
• Point d'éclair (°C): 82 °C
• Point d'ébullition (°C): 210 °C
• Poids moléculaire: 199.090 g/mol
• XLogP3: 3.800
• 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