Diphenylacetic Anhydride - ≥95% , CAS No.1760-46-9

CAS: 1760-46-9 Cat. No.: D154465 Molecular Weight: 406.48 EC Number: 805-803-7

GRADE & PURITY ≥95%

Synonyms

Diphenylacetic acid anhydride | BAA76046 | DIPHENYLACETIC ACID ACID ANHYDRIDE [MI] | Acetic acid, diphenyl-, anhydride | MFCD00039636 | Q27274667 | NSC402007 | NSC-402007 | SY055454 | (2,2-Diphenylacetyl)2,2-diphenylacetate | (2,2-diphenylacetyl) 2,2-diph

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Diphenylacetic acid anhydride | BAA76046 | DIPHENYLACETIC ACID ACID ANHYDRIDE [MI] | Acetic acid, diphenyl-, anhydride | MFCD00039636 | Q27274667 | NSC402007 | NSC-402007 | SY055454 | (2, 2-Diphenylacetyl)2, 2-diphenylacetate | (2, 2-diphenylacetyl) 2, 2-diph

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504757112
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757112
• Canonical Smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
• IUPAC Name: (2,2-diphenylacetyl) 2,2-diphenylacetate
• InChIKey: YZMRCMTTYLBDPD-UHFFFAOYSA-N
• INCHI: 1S/C28H22O3/c29-27(25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)31-28(30)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H
• Isomeric SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
• Molecular Weight: 406.48
• Reaxy-Rn: 1164107
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1164107&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: Dicarboxylic acids and derivatives Carboxylic acid anhydrides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Carboxylic acid derivative - 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

• Solubility: Soluble in Toluene
• Sensitivity: Moisture Sensitive
• Boil Point(°C): 182°C/3mmHg(lit.)
• Melt Point(°C): 98 °C
• Molecular Weight: 406.500 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 406.157 Da
• Monoisotopic Mass: 406.157 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 475.000
• 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