3-(3-Chlorophenyl)propionaldehyde - ≥95% , CAS No.136415-83-3

CAS: 136415-83-3 Cat. No.: C167090 Fórmula: C₉H₉ClO Peso molecular: 168.62 Número CE: 686-921-4

GRADE & PURITY ≥95%

Synonyms

AKOS011896099 | 2-(3-Chlorobenzyl)acetaldehyde | 3-(3'-Chlorophenyl)propionaldehyde | 3-(3-CHLOROPHENYL)PROPIONALDEHYDE | 3-(3-Chloro-phenyl)-propionaldehyde | MFCD07772911 | AB42275 | AB6892 | DTXSID50439543 | SCHEMBL67484 | Z993017744 | 3-(3-chloropheny

Storage

Room temperature,Argon charged

Shipped In

Normal

Visão geral

Refractive index n20/d:1.539

Specifications

Sinónimos

AKOS011896099 | 2-(3-Chlorobenzyl)acetaldehyde | 3-(3'-Chlorophenyl)propionaldehyde | 3-(3-CHLOROPHENYL)PROPIONALDEHYDE | 3-(3-Chloro-phenyl)-propionaldehyde | MFCD07772911 | AB42275 | AB6892 | DTXSID50439543 | SCHEMBL67484 | Z993017744 | 3-(3-chloropheny

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

488196655

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196655

Sorrisos canónicos

C1=CC(=CC(=C1)Cl)CCC=O

IUPAC Name

3-(3-chlorophenyl)propanal

InChIKey

GAMNINPBAOTMLA-UHFFFAOYSA-N

INCHI

1S/C9H9ClO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5-7H,2,4H2

SMILES isoméricas

C1=CC(=CC(=C1)Cl)CCC=O

WGK Alemanha

3

Peso molecular

168.62

Reaxy-Rn

3238828

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3238828&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Alpha-hydrogen aldehydes Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Alpha-hydrogen aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

Propriedades químicas e físicas

• Sensibilidade: air sensitive
• Ponto de inflamação (°F): >230 °F
• Ponto de inflamação (°C): >110 °C
• Peso molecular: 168.620 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 168.034 Da
• Monoisotopic Mass: 168.034 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 125.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 136415-83-3, the molecular formula is C9H9ClO, and the molecular weight is 168.62 g/mol. InChIKey GAMNINPBAOTMLA-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.