Cyclopropyldiphenylcarbinol - ≥98% , CAS No.5785-66-0

CAS: 5785-66-0 Cat. No.: C154092 Summenformel: C₁₆H₁₆O Molekulargewicht: 224.3

GRADE & PURITY ≥98%

Synonyms

Cyclopropyldiphenylmethanol | Cyclopropyl diphenyl carbinol | alpha-Cyclopropylbenzhydrol

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Cyclopropyldiphenylmethanol | Cyclopropyl diphenyl carbinol | alpha-Cyclopropylbenzhydrol

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

C1CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O

IUPAC Name

cyclopropyl(diphenyl)methanol

InChIKey

MFKPHBJFWOOEDT-UHFFFAOYSA-N

INCHI

1S/C16H16O/c17-16(15-11-12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2

Isomere SMILES

C1CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O

RTECS

PC1950000

Molekulargewicht

224.3

Reaxy-Rn

1958265

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1958265&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Tertiary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in Methanol:almost transparency
• Siedepunkt (°C): 150°C/3mmHg(lit.)
• Schmelzpunkt (°C): 85 °C
• Molekulargewicht: 224.300 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 224.12 Da
• Monoisotopic Mass: 224.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 226.000
• 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