1,4-Phenylenediacryloyl chloride - ≥97% , CAS No.35288-49-4

CAS: 35288-49-4 Cat. No.: P169844 Peso molecular: 255.1 Número EC: 622-232-7 PubChem CID: 5989690

GRADE & PURITY ≥97%

Synonyms

1,4-Phenylenediacryloyl chloride|35288-49-4|3,3'-(1,4-Phenylene)diacryloyl chloride|(E)-3-[4-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl]prop-2-enoyl chloride|3-[4-(3-CHLORO-3-OXOPROP-1-EN-1-YL)PHENYL]PROP-2-ENOYL CHLORIDE|1 4-PHENYLENEDIACRYLOYL CHLORIDETECH|3

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

1, 4-Phenylenediacryloyl chloride | 35288-49-4 | 3, 3'-(1, 4-Phenylene)diacryloyl chloride | (E)-3-[4-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl]prop-2-enoyl chloride | 3-[4-(3-CHLORO-3-OXOPROP-1-EN-1-YL)PHENYL]PROP-2-ENOYL CHLORIDE | 1 4-PHENYLENEDIACRYLOYL CHLORIDETECH | 3

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C=CC(=O)Cl)C=CC(=O)Cl
• IUPAC Name: (E)-3-[4-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl]prop-2-enoyl chloride
• InChIKey: WQZLRZFBCIUDFL-KQQUZDAGSA-N
• INCHI: 1S/C12H8Cl2O2/c13-11(15)7-5-9-1-2-10(4-3-9)6-8-12(14)16/h1-8H/b7-5+,8-6+
• Isómeros SMILES: C1=CC(=CC=C1/C=C/C(=O)Cl)/C=C/C(=O)Cl
• PubChem CID: 5989690
• Peso molecular: 255.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Cinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Cinnamic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids and derivatives
• Alternative Parents: Styrenes Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid or derivatives - Styrene - Benzenoid - Monocyclic benzene moiety - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
• 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

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 171-172 °C (lit.)
• Peso molecular: 255.090 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 253.99 Da
• Monoisotopic Mass: 253.99 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 281.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1