4-Chlorophenylglyoxal hydrate - ≥97% , CAS No.4996-21-8

CAS: 4996-21-8 Cat. No.: C193588 分子式: C₈H₇ClO₃ 分子量: 186.59

グレード＆純度 ≥97%

Synonyms

FT-0647143 | MFCD08272327 | 2-(4-chlorophenyl)-2-oxoacetaldehyde;hydrate | SCHEMBL10353718 | 2-(4-chlorophenyl)-2-oxoacetaldehyde hydrate | 2-(4-chlorophenyl)-2-oxoacetaldehydehydrate | AMY31336 | 4-chlorophenylglyoxal hydrate | SY122335 | A898761 | FT-06

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

仕様

同義語

FT-0647143 | MFCD08272327 | 2-(4-chlorophenyl)-2-oxoacetaldehyde;hydrate | SCHEMBL10353718 | 2-(4-chlorophenyl)-2-oxoacetaldehyde hydrate | 2-(4-chlorophenyl)-2-oxoacetaldehydehydrate | AMY31336 | 4-chlorophenylglyoxal hydrate | SY122335 | A898761 | FT-06

仕様と純度

≥97%

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

カノニカル・スマイル

C1=CC(=CC=C1C(=O)C=O)Cl.O

IUPAC Name

2-(4-chlorophenyl)-2-oxoacetaldehyde;hydrate

InChIKey

JTOCXCVDVKZPEB-UHFFFAOYSA-N

INCHI

1S/C8H5ClO2.H2O/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-5H;1H2

異性体SMILES

C1=CC(=CC=C1C(=O)C=O)Cl.O

代替CAS番号

859932-64-2；4998-15-6

分子量

186.59

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Air sensitive
• 分子量: 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: 159.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4996-21-8, the molecular formula is C8H7ClO3, and the molecular weight is 186.59 g/mol. InChIKey JTOCXCVDVKZPEB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.