4-Bromobenzhydrol - ≥97% , CAS No.29334-16-5

CAS: 29334-16-5 Cat. No.: B137164 Formule: C₁₃H₁₁BrO Poids moléculaire: 263.136 Numéro CE: 249-568-3

GRADE & PURITY ≥97%

Synonyms

SCHEMBL477648 | B4680 | Narcosan soluble | HMS1577K09 | p-Bromobenzhydrol | 4-Bromodiphenylmethanol | F15980 | NSC89817 | NSC-89817 | METHYL-(TETRAHYDRO-PYRAN-4-YL)-AMINE HCL | Benzenemethanol, 4-bromo-alpha-phenyl- | MFCD00016851 | 1-METHYL-1H-INDOL-2-YL

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

SCHEMBL477648 | B4680 | Narcosan soluble | HMS1577K09 | p-Bromobenzhydrol | 4-Bromodiphenylmethanol | F15980 | NSC89817 | NSC-89817 | METHYL-(TETRAHYDRO-PYRAN-4-YL)-AMINE HCL | Benzenemethanol, 4-bromo-alpha-phenyl- | MFCD00016851 | 1-METHYL-1H-INDOL-2-YL

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488187111

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187111

Sourires canoniques

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)O

IUPAC Name

(4-bromophenyl)-phenylmethanol

InChIKey

WTIWDBNPPSHSCB-UHFFFAOYSA-N

INCHI

1S/C13H11BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H

Isomères SMILES

C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)O

Poids moléculaire

263.136

Reaxy-Rn

1874653

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1874653&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Bromobenzenes Aryl bromides Secondary alcohols Organobromides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Secondary 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 diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

• Solubilité: Soluble in Methanol
• Point de fusion (°C): 65 °C
• Poids moléculaire: 263.130 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 261.999 Da
• Monoisotopic Mass: 261.999 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 181.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1