Chlorocyclohexane - ≥99% , CAS No.542-18-7

CAS: 542-18-7 Cat. No.: C106088 Fórmula: C₆H₁₁Cl Peso molecular: 118.61 Beilstein Registry Number: 5,21 Número EC: 208-806-6

GRADE & PURITY ≥99%

Synonyms

5-BROMO-4-CHLORO-3-INDOLYLALPHA-D-MANNOPYRANOSIDE | chloranylcyclohexane | UNII-PNV8C821FH | LS-13160 | CYCLOHEXYL CHLORIDE [MI] | J-520026 | CHEBI:39156 | Cyclohexane, chloro- | 4-05-00-00048 (Beilstein Handbook Reference) | CHLOROCYCLOHEXANE [HSDB] | DT

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5-BROMO-4-CHLORO-3-INDOLYLALPHA-D-MANNOPYRANOSIDE | chloranylcyclohexane | UNII-PNV8C821FH | LS-13160 | CYCLOHEXYL CHLORIDE [MI] | J-520026 | CHEBI:39156 | Cyclohexane, chloro- | 4-05-00-00048 (Beilstein Handbook Reference) | CHLOROCYCLOHEXANE [HSDB] | DT

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488181231
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181231
• Sonrisas canónicas: C1CCC(CC1)Cl
• IUPAC Name: chlorocyclohexane
• InChIKey: UNFUYWDGSFDHCW-UHFFFAOYSA-N
• INCHI: 1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
• Isómeros SMILES: C1CCC(CC1)Cl
• WGK Alemania: 1
• RTECS: GU8685000
• Número ONU: 1993
• Grupo de embalaje: III
• Peso molecular: 118.61
• Beilstein: 5,21
• Reaxy-Rn: 1900796
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900796&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Alkyl halides
• Subclass: Cyclohexyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexyl halides
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexyl halide - Hydrocarbon derivative - Organochloride - Alkyl chloride - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom.
• External Descriptors: chlorocyclohexane

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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in alcohol.
• Índice de refracción: 1.4626
• Punto de inflamación (°F): 116.6 °F
• Punto de inflamación (°C): 28℃
• Punto de ebullición (°C): 142°C
• Punto de fusión (°C): -44°C
• Peso molecular: 118.600 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 118.055 Da
• Monoisotopic Mass: 118.055 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• 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

Referencias

1. Hui Niu, Dengqian Zhang, Yaning Pei, Wei Zhang, Chen Zhang, Cuiqing Li, Long Huang.  (2023)  Low-temperature catalytic dechlorination of model plastic pyrolytic oil over zeolite catalysts.  FUEL,      [PMID:] [10.1016/j.fuel.2023.130059]

2. Hui Niu, Dongzhi Zhao, Guoying Xie, Yanan Yuan, Wei Zhang, Chen Zhang, Cuiqing Li, Lingyan Cui.  (2021)  Deep dechlorination of model oil by reactive adsorption on porous oxides.  FUEL,      [PMID:] [10.1016/j.fuel.2021.121410]

3. Xiaohuan Hu, Hong Zhang, Yaguang Wang, Hao Wang, Liqi Wang, Walid Elfalleh, Dianyu Yu.  (2024)  Effect of soybean protein-isolate-catechin edible film and coating on the storage quality of bean bun.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2024.103613]

4. Zhang Haikuo, Chen Long, Hua Junyi, Li Ruhong, Zhu Haotian, Ma Baochen, Zhang Shuoqing, Zhou Runjie, Ma Yuntong, Hu Shoulei, Zhang Wujun, Zhou Tao, Lv Ling, Wu Linzhe, Yu Yuan, Chen Lixin, Li Yong, Guo Rui, Guo Feng, Le Chao, Shen Yanbin, Deng Tao, Fan Xiulin.  (2026)  Electrostatic regulation of solvation chemistry enables ampere-hour-scale high-energy lithium metal batteries.  Nature Nanotechnology,      [PMID:] [10.1038/s41565-026-02212-2]

Preguntas frecuentes

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.

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 542-18-7, the molecular formula is C6H11Cl, and the molecular weight is 118.61 g/mol. InChIKey UNFUYWDGSFDHCW-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.