1-Chlorohexane - Standard for GC, ≥99.5%(GC) , CAS No.544-10-5

CAS: 544-10-5 Cat. No.: C109281 Peso molecular: 120.62 Beilstein Registry Number: 1731289 Número EC: 208-859-5

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

1-Chlorohexane, 96% | SCHEMBL51706 | EC 208-859-5 | normal-Hexyl chloride | 1-Chlorohexane, analytical standard | R5L7I6O9NW | InChI=1/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3 | 1-CHLOROHEXANE [MI] | Hexyl chloride | STL481900 | 1-CHLOROHEXANE | 1-Chloro-hexane

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

1-Chlorohexane, 96% | SCHEMBL51706 | EC 208-859-5 | normal-Hexyl chloride | 1-Chlorohexane, analytical standard | R5L7I6O9NW | InChI=1/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2, 1H3 | 1-CHLOROHEXANE [MI] | Hexyl chloride | STL481900 | 1-CHLOROHEXANE | 1-Chloro-hexane

Especificaciones y pureza

Standard for GC, ≥99.5%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

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Grado

Standard for GC

Pureza

≥99.5%(GC)

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCl
• IUPAC Name: 1-chlorohexane
• InChIKey: MLRVZFYXUZQSRU-UHFFFAOYSA-N
• INCHI: 1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3
• Isómeros SMILES: CCCCCCCl
• WGK Alemania: 1
• Número ONU: 1993
• Grupo de embalaje: I
• Peso molecular: 120.62
• Beilstein: 1731289
• Reaxy-Rn: 1731289
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731289&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in most organic solvents such as methanol, ethanol, benzene, and oils.
• Índice de refracción: 1.419
• Punto de inflamación (°F): 80.6 °F
• Punto de inflamación (°C): 27 °C
• Punto de ebullición (°C): 133-134°C
• Punto de fusión (°C): -94°C
• Peso molecular: 120.620 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 120.071 Da
• Monoisotopic Mass: 120.071 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 27.400
• 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. Xiao-Yan Luo, Xiao-Yan Chen, Rong-Xing Qiu, Bao-You Pei, Yi Wei, Min Hu, Jin-Qing Lin, Jing-Yang Zhang, Geng-Geng Luo.  (2019)  Enhanced CO2 capture by reducing cation–anion interactions in hydroxyl-pyridine anion-based ionic liquids.  DALTON TRANSACTIONS,  48  (7): (2300-2307).  [PMID:30648718] [10.1039/C8DT04680H]

2. Lyu Xinyu, Wang Wencheng, Sun Yiqun, Zhao Qian, Qiu Tao.  (2018)  Ionic Liquids Catalyzed Friedel–Crafts Alkylation of Substituted Benzenes with CCl4 Toward Trichloromethylarenes.  CATALYSIS LETTERS,  149  (3): (665-671).  [PMID:] [10.1007/s10562-018-2633-8]

3. Zhan W., Tu J. S., Qian X. Z., Li J., Liu J..  (2017)  Synthesis of butyl-octyl-diphenylamine as lubricant antioxidant additive by ionic liquids.  INTERNATIONAL JOURNAL OF ADVANCED MANUFACTURING TECHNOLOGY,  96  (5): (1647-1653).  [PMID:] [10.1007/s00170-017-0836-6]

4. Man Wang, Wentao Bi, Xiaohua Huang, David Da Yong Chen.  (2016)  Ball mill assisted rapid mechanochemical extraction method for natural products from plants.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:27157426] [10.1016/j.chroma.2016.04.044]

5. Yue Zhang, Zhiyong Li, Huiyong Wang, Xiaopeng Xuan, Jianji Wang.  (2016)  Efficient separation of phenolic compounds from model oil by the formation of choline derivative-based deep eutectic solvents.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2016.03.014]

6. Yucui Hou, Yuehong Ren, Wei Peng, Shuhang Ren, Weize Wu.  (2013)  Separation of Phenols from Oil Using Imidazolium-Based Ionic Liquids.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/ie403849g]

7. Haizhi Zhang, Li Qi, Ying Shen, Juan Qiao, Lanqun Mao.  (2013)  l-Lysine-derived ionic liquids as chiral ligands of Zn(II) complexes used in ligand-exchange CE.  ELECTROPHORESIS,  34  (6): (846-853).  [PMID:23307514] [10.1002/elps.201200388]

8. Shidong Tian, Yucui Hou, Weize Wu, Shuhang Ren, Chen Zhang.  (2013)  Absorption of SO2 by thermal-stable functional ionic liquids with lactate anion.  RSC Advances,  3  (11): (3572-3577).  [PMID:] [10.1039/C3RA22450C]

9. Pengfei Li, Yanke Lu, Jiangxue Cao, Mengyuan Li, Chunliu Yang, Hongyuan Yan.  (2020)  Imidazolium ionic-liquid-modified phenolic resin for solid-phase extraction of thidiazuron and forchlorfenuron from cucumbers.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:32505285] [10.1016/j.chroma.2020.461192]

10. Wang Zhao, Cheng Xu, Nuo Xu, Guitao Du, Xiangli Gao, Jianbo Shuai, Zepeng Lei, Xiaohui Wang.  (2025)  Rapid and Protective Dissolution of Cellulose via Hydrophobicity-Engineered Amphiphilic Ionic Liquids.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c08948]

11. Guitao Du, Wang Zhao, Jianbo Shuai, Zepeng Lei, Xiaohui Wang.  (2026)  Solvent-directed regeneration of nanocellulose with tunable morphology and interfacial properties.  CARBOHYDRATE POLYMERS,      [PMID:] [10.1016/j.carbpol.2026.124895]

12. Mengshuai Liu, Xiaoman Li, Mengmeng Zhao, Xuyang Jiu, Chuang Yao, Minglei Tian.  (2026)  Isolation of (+)-Catechin from Food Waste Using Ionic Liquid-Modified ZIF67 Covered Silica.  Separations,  13  (2): (72).  [PMID:] [10.3390/separations13020072]