1,1-Diphenylacetone - ≥99% , CAS No.781-35-1

CAS: 781-35-1 Cat. No.: D154580 Formula: C₁₅H₁₄O Molecular Weight: 210.28 Beilstein Registry Number: 1910210 EC Number: 212-307-9

GRADE & PURITY ≥99%

Synonyms

MFCD00008759 | EU-0066768 | 1,1-Diphenyl-2-propanone | 4-07-00-01426 (Beilstein Handbook Reference) | .alpha.,.alpha.-Diphenylacetone | 2-Propanone, 1,1-diphenyl- | Benzhydryl methyl ketone | 1,1-Diphenyl acetone | EINECS 212-307-9 | SCHEMBL396389 | A8393

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

MFCD00008759 | EU-0066768 | 1,1-Diphenyl-2-propanone | 4-07-00-01426 (Beilstein Handbook Reference) | .alpha.,.alpha.-Diphenylacetone | 2-Propanone, 1,1-diphenyl- | Benzhydryl methyl ketone | 1,1-Diphenyl acetone | EINECS 212-307-9 | SCHEMBL396389 | A8393

Specifications & Purity

≥99%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

Pubchem Sid

504754462

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754462

Canonical Smiles

CC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

IUPAC Name

1,1-diphenylpropan-2-one

InChIKey

DBNWBEGCONIRGQ-UHFFFAOYSA-N

INCHI

1S/C15H14O/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3

Isomeric SMILES

CC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

WGK Germany

3

RTECS

UC2010020

Molecular Weight

210.28

Beilstein

1910210

Reaxy-Rn

1910206

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910206&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: Phenylpropanes Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenylpropane - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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: 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Heat Sensitive
• Boil Point(°C): 135°C/1.5mmHg(lit.)
• Melt Point(°C): 62 °C
• Molecular Weight: 210.270 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 210.104 Da
• Monoisotopic Mass: 210.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 204.000
• 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

Frequently Asked Questions

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 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 781-35-1, the molecular formula is C15H14O, and the molecular weight is 210.28 g/mol. InChIKey DBNWBEGCONIRGQ-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.