2-(2-Bromophenyl)propan-2-ol - ≥98% , CAS No.7073-69-0

CAS: 7073-69-0 Cat. No.: B194705 Formule: C₉H₁₁BrO Poids moléculaire: 215.09 Numéro CE: 674-947-9

GRADE & PURITY ≥98%

Synonyms

DTXSID10317217 | MFCD00767180 | A836977 | AMY867 | 2-(2-Bromophenyl)-2-propanol # | DS-13734 | FT-0698876 | 2-(2-Bromophenyl)-2-propanol | NSC312818 | NSC-312818 | W10864 | 2-(2-Bromophenyl)propan-2-ol, AldrichCPR | EN300-132650 | SCHEMBL1164219 | AKOS009

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

DTXSID10317217 | MFCD00767180 | A836977 | AMY867 | 2-(2-Bromophenyl)-2-propanol # | DS-13734 | FT-0698876 | 2-(2-Bromophenyl)-2-propanol | NSC312818 | NSC-312818 | W10864 | 2-(2-Bromophenyl)propan-2-ol, AldrichCPR | EN300-132650 | SCHEMBL1164219 | AKOS009

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528755806
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528755806
• Sourires canoniques: CC(C)(C1=CC=CC=C1Br)O
• IUPAC Name: 2-(2-bromophenyl)propan-2-ol
• InChIKey: TXQKNSQVEWHJAQ-UHFFFAOYSA-N
• INCHI: 1S/C9H11BrO/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6,11H,1-2H3
• Isomères SMILES: CC(C)(C1=CC=CC=C1Br)O
• Poids moléculaire: 215.09
• Reaxy-Rn: 607034
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607034&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Bromobenzenes Aryl bromides Tertiary alcohols Organobromides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organobromide - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane 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

• Poids moléculaire: 215.090 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 213.999 Da
• Monoisotopic Mass: 213.999 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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