1,6-Dichlorohexane - ≥99% , CAS No.2163-00-0

CAS: 2163-00-0 Cat. No.: D110131 分子式: C₆H₁₂Cl₂ 分子量: 155.07 Beilstein Registry Number: 773673 EC番号: 218-491-7

GRADE & PURITY ≥99%

Synonyms

YK75382Q85 | 1,6-dichloro hexane | OVISMSJCKCDOPU-UHFFFAOYSA- | D0372 | DTXSID9044409 | UNII-YK75382Q85 | 1,6-DICHLOROHEXANE | 1,6-dichloro-hexane | NSC60700 | NSC-60700 | J-014192 | EC 218-491-7 | AS-14371 | A815545 | NCGC00255999-01 | InChI=1/C6H12Cl2/c

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

YK75382Q85 | 1,6-dichloro hexane | OVISMSJCKCDOPU-UHFFFAOYSA- | D0372 | DTXSID9044409 | UNII-YK75382Q85 | 1,6-DICHLOROHEXANE | 1,6-dichloro-hexane | NSC60700 | NSC-60700 | J-014192 | EC 218-491-7 | AS-14371 | A815545 | NCGC00255999-01 | InChI=1/C6H12Cl2/c

仕様と純度

≥99%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥99%

名前と識別子

• パブケム・シド: 504752758
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504752758
• カノニカル・スマイル: C(CCCCl)CCCl
• IUPAC Name: 1,6-dichlorohexane
• InChIKey: OVISMSJCKCDOPU-UHFFFAOYSA-N
• INCHI: 1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2
• 異性体SMILES: C(CCCCl)CCCl
• WGKドイツ: 1
• UN番号: 3082
• 包装グループ: III
• 分子量: 155.07
• Beilstein: 773673
• Reaxy-Rn: 773673
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773673&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 分類 Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• 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 alcohol, ether, and benzene.
• 感度: Moisture sensitive
• 屈折率: 1.4568
• 引火点（°F）: 163°F
• 引火点（°C）: 73°C
• 沸点（°C）: 204-205°C
• 融点（°C）: -13°C
• 分子量: 155.060 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 154.032 Da
• Monoisotopic Mass: 154.032 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 31.500
• 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

参考文献

1. Li-Zhi Zhang, Hong-Bin Ju, Tao Geng, De-Bao Li, Ya-Jie Jiang, Ya-Kui Wang.  (2023)  Study on the epoxidation of chain olefins using biquaternary ammonium phosphotungstic acid phase transfer catalysts under no-solvent condition.  CHEMISTRY-A EUROPEAN JOURNAL,      [PMID:38088217] [10.1002/chem.202303559]

2. Xiaoman Li, Ruobing Qiao, Xuyang Jiu, Minglei Tian.  (2022)  Solid Phase Extraction of (+)-Catechin from Cocoa Shell Waste Using Dual Ionic Liquid@ZIF8 Covered Silica.  Separations,  9  (12): (441).  [PMID:] [10.3390/separations9120441]

3. Yi-Xin Sun, Ying-Ying Wang, Bing-Bing Shen, Bi-Xian Zhang, Xiao-Mei Hu.  (2018)  Synthesis and investigation of physico-chemical properties of dicationic ionic liquids.  Royal Society Open Science,  5  (12):   [PMID:30662734] [10.1098/rsos.181230]

4. Xiaohong Yang, Changxia Li, Meiling Qi, Liangti Qu.  (2016)  Graphene-ZIF8 composite material as stationary phase for high-resolution gas chromatographic separations of aliphatic and aromatic isomers.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27423773] [10.1016/j.chroma.2016.07.029]

5. Zhao Xiaohui, Liang Weiping, An Dong, Ye Zhiwen.  (2015)  Synthesis and properties of tetrasiloxane Gemini imidazolium surfactants.  COLLOID AND POLYMER SCIENCE,  294  (3): (491-500).  [PMID:] [10.1007/s00396-015-3805-3]

6. Shaoshuo Wang, Liujun Yang, Wanyu Wei, Long Zhang, Yicheng Pan, Hua Li, Jianmei Lu.  (2025)  Fabrication of dual-function Nanofilm incorporating hydrophobic conjugated main chains and hydrophilic side chains for water purification with adsorption/catalysis capabilities.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.132605]

7. Xue Xiong, Meiling Qi.  (2018)  Hexagonal boron nitride stationary phase for gas chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30100014] [10.1016/j.chroma.2018.07.008]

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 2163-00-0, the molecular formula is C6H12Cl2, and the molecular weight is 155.07 g/mol. InChIKey OVISMSJCKCDOPU-UHFFFAOYSA-N.

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.