3-Vinylbenzaldehyde - ≥92% , CAS No.19955-99-8

CAS: 19955-99-8 Cat. No.: V684601 Molecular Weight: 132.16 EC Number: 628-006-4

GRADE & PURITY ≥92%

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

3-Vinylbenzaldehyde (3-VBAL) contains a vinyl group bonded to the aromatic ring of benzaldehyde Pulsed plasma polymerization of 3-VBAL has been described
3-Vinylbenzaldehyde may be used in the preparation of: 2-(3-vinylphenyl)-1,3-dioxolane various substituted imines monomer bearing a 2,4,5-triphenylimidazole moiety poly(3-vinylbenzaldehyde-co-dimethylacrylamide) (PVBA-co-PDMA) copolymers

Specifications

Specifications & Purity

≥92%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥92%

Names and Identifiers

• Pubchem Sid: 528758363
• Canonical Smiles: C=CC1=CC(=CC=C1)C=O
• IUPAC Name: 3-ethenylbenzaldehyde
• InChIKey: CATOVPRCMWIZLR-UHFFFAOYSA-N
• INCHI: 1S/C9H8O/c1-2-8-4-3-5-9(6-8)7-10/h2-7H,1H2
• Isomeric SMILES: C=CC1=CC(=CC=C1)C=O
• WGK Germany: 3
• Molecular Weight: 132.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Styrenes Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

• Refractive Index: n20/D 1.58
• Flash Point(°F): 208.4 °F
• Flash Point(°C): 98 °C
• Molecular Weight: 132.160 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 132.058 Da
• Monoisotopic Mass: 132.058 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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

References

1. Qingyue Li, Yaoyao Jiang, Xu Dong, Lvzhou Li, Ningyi Yuan, Jianning Ding.  (2023)  Liquid crystal elastomer film actuators with anti-strain robustness.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2023.134669]