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1-Chlorooctane - analytical standard, high purity , CAS No.111-85-3

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Item Number
C111402
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C111402-1g
1g
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$69.90

Basic Description

Synonyms Capryloylchloride | HSDB 5551 | 1-Chlorooctane; 1-Octyl chloride; Capryl chloride; NSC 5406; Octyl chloride; n-Octyl chloride | Octane, 1-chloro- | VS-02957 | 1-Octyl chloride | DTXCID501543 | 1-CHLOROOCTANE [HSDB] | NCGC00259264-01 | Tox21_302948 | UNII-
Specifications & Purity analytical standard
Shipped In Normal
Grade analytical standard

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organohalogen compounds
Class 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
Description 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

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 1-chlorooctane
INCHI InChI=1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChIKey CNDHHGUSRIZDSL-UHFFFAOYSA-N
Smiles CCCCCCCCCl
Isomeric SMILES CCCCCCCCCl
WGK Germany 2
Molecular Weight 148.67
Beilstein 1697464
Reaxy-Rn 1697464
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697464&ln=

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number Certificate Type Date Item
K2309185 Certificate of Analysis Oct 16, 2023 C111402
D1425056 Certificate of Analysis Feb 16, 2022 C111402

Chemical and Physical Properties

Refractive Index 1.43
Flash Point(°F) 60 °C
Flash Point(°C) 60°C
Boil Point(°C) 183°C
Molecular Weight 148.670 g/mol
XLogP3 4.700
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 6
Exact Mass 148.102 Da
Monoisotopic Mass 148.102 Da
Topological Polar Surface Area 0.000 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 43.800
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

Citations of This Product

1. Hui Niu, Dengqian Zhang, Yaning Pei, Wei Zhang, Chen Zhang, Cuiqing Li, Long Huang.  (2024)  Low-temperature catalytic dechlorination of model plastic pyrolytic oil over zeolite catalysts.  FUEL,  357  (130059). 
2. Xiangli Gao, Huan Liu, Jianbo Shuai, Junmeng Zhao, Guowen Zhou, Quanbo Huang, Hao Ling, Wenjiao Ge, Xiaohui Wang.  (2023)  Rapid transesterification of cellulose in a novel DBU-derived ionic liquid: Efficient synthesis of highly substituted cellulose acetate.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,  242  (125133). 
3. Niu Hui, Feng Yuyu, Ding Jie, Zhang Wei, Hu Chenxing, Zhang Qingxiang, Zhang Chen, Li Cuiqing.  (2022)  Deep dechlorination of hydrocarbon oil by reactive adsorption on TiO2-based metal oxides.  KOREAN JOURNAL OF CHEMICAL ENGINEERING,  39  (7): (1936-1945). 
4. 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,  304  (121410). 
5. Yongli Sun, Baoli Wang, Na Yang, Xiaowei Tantai, Xiaoming Xiao, Haozhen Dou, Luhong Zhang, Bin Jiang, Deqiang Wang.  (2019)  Synthesis of RGO-Supported Molybdenum Carbide (Mo2C-RGO) for Hydrogen Evolution Reaction under the Function of Poly(Ionic Liquid).  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,  58  (21): (8996–9005). 
6. Yinge Bai, Ruiyi Yan, Wenhui Tu, Jianguo Qian, Hongshuai Gao, Xiangping Zhang, Suojiang Zhang.  (2018)  Selective Separation of Methacrylic Acid and Acetic Acid from Aqueous Solution Using Carboxyl-Functionalized Ionic Liquids.  ACS Sustainable Chemistry & Engineering,  (1): (1215–1224). 
7. Zhan W., Tu J. S., Qian X. Z., Li J., Liu J..  (2018)  Synthesis of butyl-octyl-diphenylamine as lubricant antioxidant additive by ionic liquids.  INTERNATIONAL JOURNAL OF ADVANCED MANUFACTURING TECHNOLOGY,  96  (5): (1647-1653). 
8. Yinge Bai, Ruiyi Yan, Feng Huo, Jianguo Qian, Xiangping Zhang, Suojiang Zhang.  (2017)  Recovery of methacrylic acid from dilute aqueous solutions by ionic liquids though hydrogen bonding interaction.  SEPARATION AND PURIFICATION TECHNOLOGY,  184  (354). 
9. Wei Jiang, Lei Dong, Wei Liu, Tao Guo, Hongping Li, Sheng Yin, Wenshuai Zhu, Huaming Li.  (2017)  Biodegradable choline-like deep eutectic solvents for extractive desulfurization of fuel.  Chemical Engineering and Processing-Process Intensification,  115  (34). 
10. 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,  1449  (8). 
11. Shengjiao Chen, Chengle Wang, Juan Li.  (2016)  Effect of alkyl groups in organic part of polyoxo-metalates based ionic liquids on properties of flame retardant polypropylene.  THERMOCHIMICA ACTA,  631  (51). 
12. 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,  163  (310). 
13. 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,  52  (50): (18071–18075). 
14. Ze Zhong, Jian Liu, Zhi Yuan Xie, Zhi Yuan Wang.  (2013)  Significant Efficiency Enhancement of Bulk Heterojunction Organic Photovoltaics Using Solution-Processable Interfacial Bilayers.  ChemElectroChem,  (2): (471-475). 
15. 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). 
16. Fan Yunchang, Yan Jinlong, Zhang Sheli, Li Junhai, Chen Dong, Duan Peigao.  (2012)  Fluorescence Spectroscopic Analysis of the Interaction of Papain with Ionic Liquids.  APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY,  168  (3): (592-603). 
17. Li Manli, Zhu Shengbin, Li Xiaohong, Jin Enqi.  (2024)  Effects of the molecular structure of graft-quaternization double modified chitosan on the functional properties of electrospun antibacterial nanofiber.  IRANIAN POLYMER JOURNAL,    (1-17). 
18. Duan Linlin, Jia Dan, Li Jian, Liu Jianfang, Duan Haitao.  (2024)  Nanostructured lubricant additives for titanium alloy: Lubrication by the solid-liquid interface with Coulomb repulsion.  Friction,  12  (7): (1564-1579). 

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