3-(Hydroxymethyl)biphenyl - ≥96% , CAS No.69605-90-9

CAS: 69605-90-9 Cat. No.: H156898 Summenformel: C₁₃H₁₂O Molekulargewicht: 184.24

QUALITÄT & REINHEIT ≥96%

Synonyms

A836562 | H1481 | 3-phenylbenzylalcohol | [1,1'-Biphenyl]-3-ylmethanol # | [1,1'-Biphenyl]-3-methanol | MFCD08703631 | Q63395580 | 3-hydroxymethylbiphenyl | 3-phenylphenylmethanol | (3-phenylphenyl)methanol | (3-phenylphenyl)-methanol | (3-phenylphenyl)me

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

A836562 | H1481 | 3-phenylbenzylalcohol | [1,1'-Biphenyl]-3-ylmethanol # | [1,1'-Biphenyl]-3-methanol | MFCD08703631 | Q63395580 | 3-hydroxymethylbiphenyl | 3-phenylphenylmethanol | (3-phenylphenyl)methanol | (3-phenylphenyl)-methanol | (3-phenylphenyl)me

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

488190646

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190646

Kanonisches Lächeln

C1=CC=C(C=C1)C2=CC=CC(=C2)CO

IUPAC Name

(3-phenylphenyl)methanol

InChIKey

WGUZZTGZDPJWSG-UHFFFAOYSA-N

INCHI

1S/C13H12O/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9,14H,10H2

Isomere SMILES

C1=CC=C(C=C1)C2=CC=CC(=C2)CO

Molekulargewicht

184.24

Reaxy-Rn

2439399

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2439399&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzyl alcohols Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Benzyl alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 50 °C
• Molekulargewicht: 184.230 g/mol
• XLogP3: 2.700
• 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