6-Chlor-1-indanon - ≥96% , CAS No.14548-38-0

CAS: 14548-38-0 Cat. No.: C119759 Summenformel: C₉H₇ClO Molekulargewicht: 166.6 EG-Nummer: 627-183-5

GRADE & PURITY ≥96%

Synonyms

FT-0602049 | 6-chloroindanone | AM20020503 | 6-Chloro-indan-1-one | 6-Chloroindan-1-one | 6-Chloro-1-indanone | AN-584/43492679 | MFCD00956388 | 6-CHLORO-1-INDANONE 96 | DTXSID70408317 | FS-2569 | SMSGJDOJSQHQIW-UHFFFAOYSA-N | 6-Chloro-1-indanone, 96% |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

FT-0602049 | 6-chloroindanone | AM20020503 | 6-Chloro-indan-1-one | 6-Chloroindan-1-one | 6-Chloro-1-indanone | AN-584/43492679 | MFCD00956388 | 6-CHLORO-1-INDANONE 96 | DTXSID70408317 | FS-2569 | SMSGJDOJSQHQIW-UHFFFAOYSA-N | 6-Chloro-1-indanone, 96% |

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

488195089

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195089

Kanonisches Lächeln

C1CC(=O)C2=C1C=CC(=C2)Cl

IUPAC Name

6-chloro-2,3-dihydroinden-1-one

InChIKey

SMSGJDOJSQHQIW-UHFFFAOYSA-N

INCHI

1S/C9H7ClO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2

Isomere SMILES

C1CC(=O)C2=C1C=CC(=C2)Cl

WGK Deutschland

2

Molekulargewicht

166.6

Reaxy-Rn

1526032

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1526032&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Aryl alkyl ketones Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - Aryl halide - Aryl chloride - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
• 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

• Schmelzpunkt (°C): 71-79°C
• Molekulargewicht: 166.600 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• 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: 178.000
• 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