Difenilmetanol - ≥99% , CAS No.91-01-0

CAS: 91-01-0 Cat. No.: D106394 Peso molecular: 184.23 Beilstein Registry Number: 1424379 Número EC: 202-033-8

GRADE & PURITY ≥99%

Synonyms

Benzenemethanol, .alpha.-phenyl- | BENZOHYDROL [MI] | .alpha.-Phenylbenzenemethanol | AKOS000120483 | CHEBI:156087 | D0898 | InChI=1/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H | SCHEMBL41571 | Diphenylmethanol, 99% | Benzhydrol, United S

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Benzenemethanol, .alpha.-phenyl- | BENZOHYDROL [MI] | .alpha.-Phenylbenzenemethanol | AKOS000120483 | CHEBI:156087 | D0898 | InChI=1/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10, 13-14H | SCHEMBL41571 | Diphenylmethanol, 99% | Benzhydrol, United S

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488180255
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180255
• Sonrisas canónicas: C1=CC=C(C=C1)C(C2=CC=CC=C2)O
• IUPAC Name: diphenylmethanol
• InChIKey: QILSFLSDHQAZET-UHFFFAOYSA-N
• INCHI: 1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
• Isómeros SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)O
• WGK Alemania: 2
• RTECS: DC7452000
• Peso molecular: 184.23
• Beilstein: 1424379
• Reaxy-Rn: 1424379
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1424379&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Objetivos asociados (humanos)

TRPV6 Tchem Transient receptor potential cation channel subfamily V member 6 (136 Activities)

Discover Target: TRPV6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ORAI1 Tchem ORAI 1/2/3 (82 Activities)

Discover Target: ORAI1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Punto de inflamación (°F): 320℉
• Punto de inflamación (°C): 160℃
• Punto de ebullición (°C): 297-298°C
• Punto de fusión (°C): 65-68°C
• Peso molecular: 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: 137.000
• 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

Referencias

1. Peng Hong, Limin Wang, Linsheng Bai, Zhongqiu Liu, Yujing Liu, Jianguo Yang, Anguo Ying.  (2021)  Intelligent light-responsive and ionic polymer functionalized polyacrylonitrile as an environmental benign catalyst for selective oxidation of benzyl alcohols.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2021.109902]

2. Wei Zhang, Ziqiang Xiao, Jiajun Wang, Wenqin Fu, Rong Tan, Donghong Yin.  (2019)  Selective Aerobic Oxidation of Alcohols over Gold-Palladium Alloy Catalysts Using Air at Atmospheric Pressure in Water.  ChemCatChem,  11  (6): (1779-1788).  [PMID:] [10.1002/cctc.201900015]

3. Pengbo Hao, Mingjie Zhang, Wei Zhang, Zhiyang Tang, Ni Luo, Rong Tan, Donghong Yin.  (2018)  Polyoxometalate-based Gemini ionic catalysts for selective oxidation of benzyl alcohol with hydrogen peroxide in water.  Catalysis Science & Technology,  8  (17): (4463-4473).  [PMID:] [10.1039/C8CY01191E]

4. Yufen Wang, Yantao Wang, Yongqing Ma, Asma Mohmmad Elsharif, Chen Zhang, Weiran Yang, Christophe Len.  (2024)  A transition-metal-free catalytic reduction of benzylic alcohols and alkenes and N-formylation of nitroarenes mediated by iodide ions and formic acid.  NEW JOURNAL OF CHEMISTRY,      [PMID:] [10.1039/D4NJ03772C]

5. Weichuan Xu, Hong Huang, Lingling Bi, Haimei Xu, Zhichao Miao, Mei Wu.  (2024)  One-pot fabrication of vanadium-doped ordered mesoporous zirconium oxophosphate catalyst for the synthesis of carbonyl compounds.  NEW JOURNAL OF CHEMISTRY,  48  (24): (10820-10829).  [PMID:] [10.1039/D4NJ01661K]