α-Chlorocinnamaldehyde - ≥90% , CAS No.18365-42-9

CAS: 18365-42-9 Cat. No.: C102191 Formula: C₆H₅CH=C(Cl)CHO Peso molecolare: 166.6 Numero EC: 242-237-4

QUALITÀ & PUREZZA ≥90%

Synonyms

.alpha.-Chlorocinnamaldehyde | 2-Propenal, 2-chloro-3-phenyl- | a-chlorocinnamaldehyde | alpha-Chlorocinnamaldehyde, 97% | EINECS 242-237-4 | SCHEMBL560302 | DTXSID001031058 | Cinnamaldehyde, alpha-chloro-, (Z)- | AKOS000119888 | alpha -chlorocinnamaldehy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

α-Chlorocinnamaldehyde inhibits the corrosion of ARMCO iron in 4 M HCl. It undergoes chemoselective reduction in the presence of calcium amidoborane to yield allylic alcohol.

Specifiche

Sinonimi

.alpha.-Chlorocinnamaldehyde | 2-Propenal, 2-chloro-3-phenyl- | a-chlorocinnamaldehyde | alpha-Chlorocinnamaldehyde, 97% | EINECS 242-237-4 | SCHEMBL560302 | DTXSID001031058 | Cinnamaldehyde, alpha-chloro-, (Z)- | AKOS000119888 | alpha -chlorocinnamaldehy

Specifiche e purezza

≥90%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥90%

Nomi e identificatori

Pubchem Sid

508811275

Sorrisi canonici

C1=CC=C(C=C1)C=C(C=O)Cl

IUPAC Name

(Z)-2-chloro-3-phenylprop-2-enal

InChIKey

SARRRAKOHPKFBW-TWGQIWQCSA-N

INCHI

1S/C9H7ClO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H/b9-6-

Isomeri SMILES

C1=CC=C(C=C1)/C=C(/C=O)\Cl

WGK Germania

3

RTECS

GD6489990

Peso molecolare

166.6

Reaxy-Rn

2205649

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205649&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: Benzene and substituted derivatives Enals Vinyl chlorides Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamaldehyde - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated aldehyde - Enal - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Aldehyde - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive
• Indice di rifrazione: 1.64
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 107-108 °C/3 mmHg
• Punto di fusione (°C): 20-22°C
• Peso molecolare: 166.600 g/mol
• XLogP3: 2.600
• 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: 157.000
• 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