1,3-Diphenylpropane - ≥97% , CAS No.1081-75-0

CAS: 1081-75-0 Cat. No.: D155045 分子式: C₁₅H₁₆ 分子量: 196.29 Beilstein Registry Number: 5(4)1913 EC番号: 214-101-4

GRADE & PURITY ≥97%

Synonyms

BS-22670 | 2-methyl benzyl chloride | Propane,3-diphenyl- | 1,1'-(1,3-Propanediyl)bisbenzene, 9CI | Benzene, 1,1'-(1,3-propanediyl)bis- (9CI) | Q27115781 | D1412 | BAA08175 | H11752 | Benzene, 1,1'- (1,3-propanediyl)bis- | EINECS 214-101-4 | DTXSID8086252

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

BS-22670 | 2-methyl benzyl chloride | Propane,3-diphenyl- | 1,1'-(1,3-Propanediyl)bisbenzene, 9CI | Benzene, 1,1'-(1,3-propanediyl)bis- (9CI) | Q27115781 | D1412 | BAA08175 | H11752 | Benzene, 1,1'- (1,3-propanediyl)bis- | EINECS 214-101-4 | DTXSID8086252

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488181947

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488181947

カノニカル・スマイル

C1=CC=C(C=C1)CCCC2=CC=CC=C2

IUPAC Name

3-phenylpropylbenzene

InChIKey

VEAFKIYNHVBNIP-UHFFFAOYSA-N

INCHI

1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2

異性体SMILES

C1=CC=C(C=C1)CCCC2=CC=CC=C2

分子量

196.29

Beilstein

5(4)1913

Reaxy-Rn

2044541

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044541&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Linear 1,3-diarylpropanoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Linear 1,3-diarylpropanoids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Linear 1,3-diarylpropanoids
• Alternative Parents: Benzene and substituted derivatives Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Linear 1,3-diarylpropanoid - Benzenoid - Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
• External Descriptors: aromatic compound

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

化学的性質と物理的性質

• 感度: moisture sensitive
• 屈折率: 1.56
• 沸点（°C）: 83°C/0.7mmHg(lit.)
• 分子量: 196.290 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 196.125 Da
• Monoisotopic Mass: 196.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 131.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 1081-75-0, the molecular formula is C15H16, and the molecular weight is 196.29 g/mol. InChIKey VEAFKIYNHVBNIP-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.