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 Peso molecular: 1061.17 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488199058
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199058
• Sonrisas canónicas: 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
• Isómeros 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
• Peso molecular: 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
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Acetone (Sightly, Heated), DMSO (Sparingly, Heated)
• Sensibilidad: Moisture sensitive
• Punto de ebullición (°C): 1077.4±65.0буC at 760 mmHg
• Punto de fusión (°C): 165-175℃
• Peso molecular: 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