4-Bromocyclohexan-1-one - ≥97% , CAS No.22460-52-2

CAS: 22460-52-2 Cat. No.: B632418 Summenformel: C₆H₉BrO Molekulargewicht: 177.04 EG-Nummer: 855-838-7 PubChem CID: 11401088

GRADE & PURITY ≥97%

Synonyms

DTXSID00464683 | OMCGWSBEIHGWOH-UHFFFAOYSA-N | PS-15546 | mono-bromocyclohexanone | SY275581 | 4-Bromocyclohexanone | 4-bromocyclohexan-1-one | XAA46052 | AKOS026730019 | Cyclohexanone, 4-bromo- | EN300-139262 | MFCD20621393 | SCHEMBL3839916 | C77503

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

DTXSID00464683 | OMCGWSBEIHGWOH-UHFFFAOYSA-N | PS-15546 | mono-bromocyclohexanone | SY275581 | 4-Bromocyclohexanone | 4-bromocyclohexan-1-one | XAA46052 | AKOS026730019 | Cyclohexanone, 4-bromo- | EN300-139262 | MFCD20621393 | SCHEMBL3839916 | C77503

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528760698

Kanonisches Lächeln

C1CC(=O)CCC1Br

IUPAC Name

4-bromocyclohexan-1-one

InChIKey

OMCGWSBEIHGWOH-UHFFFAOYSA-N

INCHI

1S/C6H9BrO/c7-5-1-3-6(8)4-2-5/h5H,1-4H2

Isomere SMILES

C1CC(=O)CCC1Br

Alternative CAS-Nummer

22460-52-2

PubChem CID

11401088

Molekulargewicht

177.04

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic 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

• Molekulargewicht: 177.040 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 175.984 Da
• Monoisotopic Mass: 175.984 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 90.700
• 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