1-Methyl-1-cyclohexanecarbonyl chloride - ≥95% , CAS No.2890-61-1

CAS: 2890-61-1 Cat. No.: M169298 Formula: C₈H₁₃ClO Peso molecolare: 160.645 Numero EC: 608-291-1

GRADE & PURITY ≥95%

Synonyms

1-METHYLCYCLOHEXANECARBONYL CHLORIDE|2890-61-1|1-METHYL-1-CYCLOHEXANECARBOXYLIC ACID CHLORIDE|1-methylcyclohexane-1-carbonyl Chloride|MFCD00019346|Cyclohexanecarbonyl chloride, 1-methyl-|1-Methylcyclohexanecarbonylchloride|EC 608-291-1|SCHEMBL246831|STPXI

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

1-METHYLCYCLOHEXANECARBONYL CHLORIDE | 2890-61-1 | 1-METHYL-1-CYCLOHEXANECARBOXYLIC ACID CHLORIDE | 1-methylcyclohexane-1-carbonyl Chloride | MFCD00019346 | Cyclohexanecarbonyl chloride, 1-methyl- | 1-Methylcyclohexanecarbonylchloride | EC 608-291-1 | SCHEMBL246831 | STPXI

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 504762897
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762897
• Sorrisi canonici: CC1(CCCCC1)C(=O)Cl
• IUPAC Name: 1-methylcyclohexane-1-carbonyl chloride
• InChIKey: STPXIOFWKOIYHX-UHFFFAOYSA-N
• INCHI: 1S/C8H13ClO/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3
• Isomeri SMILES: CC1(CCCCC1)C(=O)Cl
• Peso molecolare: 160.645
• Reaxy-Rn: 742252
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742252&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 160.640 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 160.065 Da
• Monoisotopic Mass: 160.065 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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