3-Chlorophenylglyoxal hydrate - ≥95% , CAS No.177288-16-3

CAS: 177288-16-3 Cat. No.: C191598 Formule: C₈H₇ClO₃ Poids moléculaire: 186.59 Numéro CE: 689-321-0

GRADE & PURITY ≥95%

Synonyms

3-Chlorophenylglyoxal hydrate|177288-16-3|2-(3-chlorophenyl)-2-oxoacetaldehyde;hydrate|MFCD08705874|1082715-90-9|2-(3-chlorophenyl)-2-oxoacetaldehyde hydrate|2-(3-Chlorophenyl)-2-oxo-acetaldehyde hydrate|SCHEMBL8938090|DTXSID80625634|MFCD05864649|AKOS0160

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

3-Chlorophenylglyoxal hydrate | 177288-16-3 | 2-(3-chlorophenyl)-2-oxoacetaldehyde;hydrate | MFCD08705874 | 1082715-90-9 | 2-(3-chlorophenyl)-2-oxoacetaldehyde hydrate | 2-(3-Chlorophenyl)-2-oxo-acetaldehyde hydrate | SCHEMBL8938090 | DTXSID80625634 | MFCD05864649 | AKOS0160

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

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

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: C1=CC(=CC(=C1)Cl)C(=O)C=O.O
• IUPAC Name: 2-(3-chlorophenyl)-2-oxoacetaldehyde;hydrate
• InChIKey: QDPIMXWMDQVBKT-UHFFFAOYSA-N
• INCHI: 1S/C8H5ClO2.H2O/c9-7-3-1-2-6(4-7)8(11)5-10;/h1-5H;1H2
• Isomères SMILES: C1=CC(=CC(=C1)Cl)C(=O)C=O.O
• Poids moléculaire: 186.59
• Reaxy-Rn: 14926763
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14926763&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylacetaldehydes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylacetaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetaldehydes
• Alternative Parents: Benzoyl derivatives Aryl ketones Chlorobenzenes Aryl chlorides Alpha ketoaldehydes Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetaldehyde - Benzoyl - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Alpha-ketoaldehyde - Ketone - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aldehyde - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylacetaldehydes. These are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde.
• 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

• Sensibilité: Light sensitive ；Air sensitive
• Poids moléculaire: 186.590 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.008 Da
• Monoisotopic Mass: 186.008 Da
• Topological Polar Surface Area: 35.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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: 2

XLogP3