Diphenylmethane - CP, ≥98% , CAS No.101-81-5

CAS: 101-81-5 Cat. No.: D105755 分子式: C₁₃H₁₂ 分子量: 168.23 Beilstein Registry Number: 1904982 EC番号: 202-978-6

GRADE & PURITY CP, ≥98%

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

Specifications

同義語

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

仕様と純度

CP, ≥98%

保管条件

Room temperature

入荷

Normal

等級

CP

純度

≥98%

名前と識別子

パブケム・シド

488180492

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488180492

カノニカル・スマイル

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

異性体SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2

WGKドイツ

2

RTECS

DA4976500

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in ethanol, ether, chloroform, etc.
• 融点（°C）: 25 °C
• 屈折率: 1.5753
• 引火点（°F）: 260.6℉
• 引火点（°C）: 127℃
• 沸点（°C）: 264.3°C
• 融点（°C）: 22-24°C
• 分子量: 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does CP mean?

CP is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. CP is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 101-81-5, the molecular formula is C13H12, and the molecular weight is 168.23 g/mol. InChIKey CZZYITDELCSZES-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.