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

CAS: 136415-83-3 Cat. No.: C167090 Summenformel: C₉H₉ClO Molekulargewicht: 168.62 EG-Nummer: 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

Übersicht

Refractive index n20/d:1.539

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488196655

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Flammpunkt (°F): >230 °F
• Flammpunkt (°C): >110 °C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.