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

CAS: 10226-30-9 Cat. No.: C108058 分子式: C₆H₁₁ClO 分子量: 134.6 Beilstein Registry Number: 1(4)3300 EC番号: 233-546-5

グレード＆純度 ≥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

概要

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.

仕様

同義語

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-

仕様と純度

≥98%

保管条件

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

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

488186100

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CC(=O)CCCCCl

WGKドイツ

3

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Insoluble in water, soluble in chloroform (carbon trichloride), n-heptane, ethanol, n-butanol, etc.
• 感度: air sensitive& heat sensitive
• 屈折率: 1.4435
• 引火点（°F）: 194 °F
• 引火点（°C）: 91 °C
• 沸点（°C）: 85.5-86.5°C
• 分子量: 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

よくある質問

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.