Di-p-tolylmethane - ≥99% , CAS No.4957-14-6

CAS: 4957-14-6 Cat. No.: D155050 Summenformel: C₁₅H₁₆ Molekulargewicht: 196.29 EG-Nummer: 622-746-1

GRADE & PURITY ≥99%

Synonyms

4,4'-Ditolylmethane | D1312 | HZAWPPRBCALFRN-UHFFFAOYSA-N | p-Ditolylmethane | Benzene,1'-methylenebis[4-methyl- | 1-methyl-4-[(4-methylphenyl)methyl]benzene | A827750 | NSC 93789 | D89830 | 4-05-00-01929 (Beilstein Handbook Reference) | DTXSID90197852 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4,4'-Ditolylmethane | D1312 | HZAWPPRBCALFRN-UHFFFAOYSA-N | p-Ditolylmethane | Benzene,1'-methylenebis[4-methyl- | 1-methyl-4-[(4-methylphenyl)methyl]benzene | A827750 | NSC 93789 | D89830 | 4-05-00-01929 (Beilstein Handbook Reference) | DTXSID90197852 |

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504753015

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753015

Kanonisches Lächeln

CC1=CC=C(C=C1)CC2=CC=C(C=C2)C

IUPAC Name

1-methyl-4-[(4-methylphenyl)methyl]benzene

InChIKey

HZAWPPRBCALFRN-UHFFFAOYSA-N

INCHI

1S/C15H16/c1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3

Isomere SMILES

CC1=CC=C(C=C1)CC2=CC=C(C=C2)C

RTECS

PA9100000

Molekulargewicht

196.29

Reaxy-Rn

2043607

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043607&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: Toluenes Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Toluene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - 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

• Siedepunkt (°C): 150°C/10mmHg(lit.)
• Schmelzpunkt (°C): 28 °C
• Molekulargewicht: 196.290 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• 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: 148.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% 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 4957-14-6, the molecular formula is C15H16, and the molecular weight is 196.29 g/mol. InChIKey HZAWPPRBCALFRN-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.