3-(3-chlorophenyl)acrylaldehyde - ≥96% , CAS No.56578-37-1

CAS: 56578-37-1 Cat. No.: E589503 Formule: C₉H₇ClO Poids moléculaire: 166.60

GRADE & PURITY ≥96%

Synonyms

(2E)-3-(3-Chlorophenyl)-2-propenal | AKOS006284366 | 2-Propenal, 3-(3-chlorophenyl)-, (E)- | AS-59321 | (E)-3-(3-Chlorophenyl)acrylaldehyde | AM85822 | (E)-3-Chlorocinnamaldehyde | 3-CHLOROCINNAMALDEHYDE | SCHEMBL1307668 | 3-(3-chlorophenyl)acrylaldehyde

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

(2E)-3-(3-Chlorophenyl)-2-propenal | AKOS006284366 | 2-Propenal, 3-(3-chlorophenyl)-, (E)- | AS-59321 | (E)-3-(3-Chlorophenyl)acrylaldehyde | AM85822 | (E)-3-Chlorocinnamaldehyde | 3-CHLOROCINNAMALDEHYDE | SCHEMBL1307668 | 3-(3-chlorophenyl)acrylaldehyde

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥96%

Noms et identifiants

• Sourires canoniques: C1=CC(=CC(=C1)Cl)C=CC=O
• IUPAC Name: (E)-3-(3-chlorophenyl)prop-2-enal
• InChIKey: GTQLBYROWRZDHS-DUXPYHPUSA-N
• INCHI: 1S/C9H7ClO/c10-9-5-1-3-8(7-9)4-2-6-11/h1-7H/b4-2+
• Isomères SMILES: C1=CC(=CC(=C1)Cl)/C=C/C=O
• Poids moléculaire: 166.60
• Reaxy-Rn: 1099686
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099686&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamaldehydes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamaldehydes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamaldehydes
• Alternative Parents: Styrenes Chlorobenzenes Aryl chlorides Enals Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamaldehyde - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated aldehyde - Enal - Organochloride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 166.600 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 166.019 Da
• Monoisotopic Mass: 166.019 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 154.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1