3-Benzylphenol - ≥95% , CAS No.22272-48-6

CAS: 22272-48-6 Cat. No.: B192138 Formula: C₁₃H₁₂O Peso molecolare: 184.23

GRADE & PURITY ≥95%

Synonyms

AKOS006273484 | DS-10977 | FT-0648006 | JKFDELMIGLPLAX-UHFFFAOYSA-N | J-511767 | DTXSID80176818 | p-oxy-diphenylmethane | MFCD00036116 | 3-Benzylphenol | 3-Benzyl-phenol | A878630 | SCHEMBL1531575 | (m-Hydroxyphenyl)phenylmetane

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

AKOS006273484 | DS-10977 | FT-0648006 | JKFDELMIGLPLAX-UHFFFAOYSA-N | J-511767 | DTXSID80176818 | p-oxy-diphenylmethane | MFCD00036116 | 3-Benzylphenol | 3-Benzyl-phenol | A878630 | SCHEMBL1531575 | (m-Hydroxyphenyl)phenylmetane

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: C1=CC=C(C=C1)CC2=CC(=CC=C2)O
• IUPAC Name: 3-benzylphenol
• InChIKey: JKFDELMIGLPLAX-UHFFFAOYSA-N
• INCHI: 1S/C13H12O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10,14H,9H2
• Isomeri SMILES: C1=CC=C(C=C1)CC2=CC(=CC=C2)O
• Peso molecolare: 184.23
• Reaxy-Rn: 2555595
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2555595&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: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 184.230 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 184.089 Da
• Monoisotopic Mass: 184.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 161.000
• 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