2,2-Bis(((2-cyano-33-diphenylacryloyl)oxy)methyl)propane-1,3-diyl bis(2-cyano-3,3-diphenylacrylate) - ≥95% , CAS No.178671-58-4

CAS: 178671-58-4 Cat. No.: B305215 Molecular Weight: 1061.17 EC Number: 429-160-3

GRADE & PURITY ≥95%

Synonyms

AKOS016007524 | UV Absorber 3030 | [3-(2-cyano-3,3-diphenylprop-2-enoyl)oxy-2,2-bis[(2-cyano-3,3-diphenylprop-2-enoyl)oxymethyl]propyl] 2-cyano-3,3-diphenylprop-2-enoate | 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2,2-bis(((2-cyano-1-oxo-3,3-diphenyl-2-pro

Storage

Room temperature

Shipped In

Normal

Overview

Uvinul 3030 is used as an analyte for detectioni and identification of leachables in vaccines from plastic packaging materials using UPLC-QTOF MS with self-built polymer additives library.

Specifications

Synonyms

AKOS016007524 | UV Absorber 3030 | [3-(2-cyano-3, 3-diphenylprop-2-enoyl)oxy-2, 2-bis[(2-cyano-3, 3-diphenylprop-2-enoyl)oxymethyl]propyl] 2-cyano-3, 3-diphenylprop-2-enoate | 2-Propenoic acid, 2-cyano-3, 3-diphenyl-, 2, 2-bis(((2-cyano-1-oxo-3, 3-diphenyl-2-pro

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488199058
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199058
• Canonical Smiles: C1=CC=C(C=C1)C(=C(C#N)C(=O)OCC(COC(=O)C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C#N)(COC(=O)C(=C(C4=CC=CC=C4)C5=CC=CC=C5)C#N)COC(=O)C(=C(C6=CC=CC=C6)C7=CC=CC=C7)C#N)C8=CC=CC=C8
• IUPAC Name: [3-(2-cyano-3,3-diphenylprop-2-enoyl)oxy-2,2-bis[(2-cyano-3,3-diphenylprop-2-enoyl)oxymethyl]propyl] 2-cyano-3,3-diphenylprop-2-enoate
• InChIKey: CVSXFBFIOUYODT-UHFFFAOYSA-N
• INCHI: 1S/C69H48N4O8/c70-41-57(61(49-25-9-1-10-26-49)50-27-11-2-12-28-50)65(74)78-45-69(46-79-66(75)58(42-71)62(51-29-13-3-14-30-51)52-31-15-4-16-32-52,47-80-67(76)59(43-72)63(53-33-17-5-18-34-53)54-35-19-6-20-36-54)48-81-68(77)60(44-73)64(55-37-21-7-22-38-55)56-39-23-8-24-40-56/h1-40H,45-48H2
• Isomeric SMILES: C1=CC=C(C=C1)C(=C(C#N)C(=O)OCC(COC(=O)C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C#N)(COC(=O)C(=C(C4=CC=CC=C4)C5=CC=CC=C5)C#N)COC(=O)C(=C(C6=CC=CC=C6)C7=CC=CC=C7)C#N)C8=CC=CC=C8
• Molecular Weight: 1061.17
• Reaxy-Rn: 18430352
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18430352&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: Tetracarboxylic acids and derivatives Cinnamic acid esters Fatty acid esters Enoate esters Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Tetracarboxylic acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - Fatty acid ester - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Nitrile - Carbonitrile - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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: Acetone (Sightly, Heated), DMSO (Sparingly, Heated)
• Sensitivity: Moisture sensitive
• Boil Point(°C): 1077.4±65.0буC at 760 mmHg
• Melt Point(°C): 165-175℃
• Molecular Weight: 1061.100 g/mol
• XLogP3: 15.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 24
• Exact Mass: 1060.35 Da
• Monoisotopic Mass: 1060.35 Da
• Topological Polar Surface Area: 200.000 Ų
• Heavy Atom Count: 81
• Formal Charge: 0
• Complexity: 2070.000
• 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