6-Chloro-2-hexanone - ≥98% , CAS No.10226-30-9

CAS: 10226-30-9 Cat. No.: C108058 Formula: C₆H₁₁ClO Molecular Weight: 134.6 Beilstein Registry Number: 1(4)3300 EC Number: 233-546-5

GRADE & PURITY ≥98%

Synonyms

6-chloro-hexan-2-one|6-Chlorohexan-2-one|4-Chlorobutyl Methyl Ketone|1-Chloro-5-hexanone|6-Chloro-2-hexanone|1-chloro-hexan-5-one|1-chlorohexan-5-one|2-Hexanone, 6-chloro-

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

6-Chloro-2-hexanone in the synthesis of the keto analogs began with 6-chloro-2-hexanone. Substituted 7-(oxoalkyl)theophyllines were synthesized by alkylation of the respective theophyllines with 6-chloro-2-hexanone.

Specifications

Synonyms

6-chloro-hexan-2-one | 6-Chlorohexan-2-one | 4-Chlorobutyl Methyl Ketone | 1-Chloro-5-hexanone | 6-Chloro-2-hexanone | 1-chloro-hexan-5-one | 1-chlorohexan-5-one | 2-Hexanone, 6-chloro-

Specifications & Purity

≥98%

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Pubchem Sid

488186100

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186100

Canonical Smiles

CC(=O)CCCCCl

IUPAC Name

6-chlorohexan-2-one

InChIKey

CMDIDTNMHQUVPE-UHFFFAOYSA-N

INCHI

1S/C6H11ClO/c1-6(8)4-2-3-5-7/h2-5H2,1H3

Isomeric SMILES

CC(=O)CCCCCl

WGK Germany

3

Molecular Weight

134.6

Beilstein

1(4)3300

Reaxy-Rn

1699999

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1699999&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketone - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• 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

Chemical and Physical Properties

• Solubility: Insoluble in water, soluble in chloroform (carbon trichloride), n-heptane, ethanol, n-butanol, etc.
• Sensitivity: air sensitive& heat sensitive
• x_refractive_index: 1.4435
• x_flash_point_drop_fahrenheit: 194 °F
• x_flash_point_drop_centigrade: 91 °C
• x_boil_point_char: 85.5-86.5°C
• Molecular Weight: 134.600 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 134.05 Da
• Monoisotopic Mass: 134.05 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.900
• 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

Frequently Asked Questions

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

The CAS Number is 10226-30-9, the molecular formula is C6H11ClO, and the molecular weight is 134.6 g/mol. InChIKey CMDIDTNMHQUVPE-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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.