Diphenylmethane - ≥99% , CAS No.101-81-5

CAS: 101-81-5 Cat. No.: D105756 Molecular Weight: 168.23 Beilstein Registry Number: 1904982 EC Number: 202-978-6

GRADE & PURITY ≥99%

Synonyms

DTXCID9021891 | AI3-28021-X | EINECS 202-978-6 | EN300-21054 | Benzylbenzene | benzyl-benzene | Diphenylmethane, 99% | E75810 | Toluene, .alpha.-phenyl- | Diphenylmethan | Toluene, alpha-phenyl- | DTXSID1041891 | Tox21_301147 | alpha-phenyltoluene | Ditan

Storage

Room temperature

Shipped In

Normal

Overview

Diphenylmethane is an aromatic compound used as a key building block in the synthesis of elastase inhibitors.
Application
Diphenylmethane is widely used in the synthesis of luminogens for aggregation-induced emission (AIE).
It is used in the preparation of a polymerization initiator, diphenylmethyl potassium (DPMK).
It is one of the precursors in the synthesis of a dendrimeric polycyclic aromatic hydrocarbon (PAH), hexakis[4-(1,1,2-triphenyl-ethenyl)phenyl]benzene.

Specifications

Synonyms

DTXCID9021891 | AI3-28021-X | EINECS 202-978-6 | EN300-21054 | Benzylbenzene | benzyl-benzene | Diphenylmethane, 99% | E75810 | Toluene, .alpha.-phenyl- | Diphenylmethan | Toluene, alpha-phenyl- | DTXSID1041891 | Tox21_301147 | alpha-phenyltoluene | Ditan

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504751399
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751399
• Canonical Smiles: C1=CC=C(C=C1)CC2=CC=CC=C2
• IUPAC Name: benzylbenzene
• InChIKey: CZZYITDELCSZES-UHFFFAOYSA-N
• INCHI: 1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2
• Isomeric SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2
• WGK Germany: 2
• RTECS: DA4976500
• Molecular Weight: 168.23
• Beilstein: 1904982
• Reaxy-Rn: 1904982
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904982&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - 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: diarylmethane

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol, ether, chloroform, etc.
• Freezing Point(°C): 25 °C
• Refractive Index: 1.5753
• Flash Point(°F): 260.6℉
• Flash Point(°C): 127℃
• Boil Point(°C): 264.3°C
• Melt Point(°C): 22-24°C
• Molecular Weight: 168.230 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 168.094 Da
• Monoisotopic Mass: 168.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 111.000
• 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

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