1-Chlorooctane - ≥99% , CAS No.111-85-3

CAS: 111-85-3 Cat. No.: C111401 Formula: C8H17Cl Peso molecolare: 148.67 Beilstein Registry Number: 1697464 Numero EC: 203-915-5
Disponibile su ordine
GRADE & PURITY ≥99%
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-
Storage
Room temperature
Shipped In
Normal
★
Size
Germania (EU)
USA*
Price
Qty
25ml
C111401-25ml
Su ordinazione · 8–12 settimane

8,59€

13,80€
Salva 5,21 € (37.74%)
100ml
C111401-100ml
—
2 Disponibile

14,66€

21,61€
Salva 6,94 € (32.13%)
500ml
C111401-500ml
1 Disponibile
2 Disponibile

30,28€

38,09€
Salva 7,81 € (20.50%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 21 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinonimi
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-
Specifiche e purezza
≥99%
Condizioni di conservazione di stoccaggio
Room temperature
Spedito in
Normal
Purezza
≥99%
Nomi e identificatori
Pubchem Sid528754494
Sorrisi canoniciCCCCCCCCCl
IUPAC Name1-chlorooctane
InChIKeyCNDHHGUSRIZDSL-UHFFFAOYSA-N
INCHI1S/C8H17Cl/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
Isomeri SMILES CCCCCCCCCl
WGK Germania 2
Peso molecolare 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=

Documentazione

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganohalogen compounds
ClasseOrganochlorides
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentOrganochlorides
Alternative Parents Hydrocarbon derivatives  Alkyl chlorides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
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.

22 results found

Lot NumberCertificate TypeDataOggetto
F1926025Certificate of AnalysisJul 07, 2026 C111401
L2322252Certificate of AnalysisSep 17, 2025 C111401
C1806110Certificate of AnalysisApr 09, 2025 C111401
I2107244Certificate of AnalysisMar 04, 2025 C111401
I2107241Certificate of AnalysisMar 04, 2025 C111401
I2107240Certificate of AnalysisMar 04, 2025 C111401
L2216637Certificate of AnalysisSep 18, 2024 C111401
L2216641Certificate of AnalysisSep 18, 2024 C111401
L2216557Certificate of AnalysisSep 18, 2024 C111401
L2216649Certificate of AnalysisSep 18, 2024 C111401
K2525274Certificate of AnalysisJul 27, 2024 C111401
F2424109Certificate of AnalysisJun 06, 2024 C111401
F2424108Certificate of AnalysisJun 06, 2024 C111401
F2424107Certificate of AnalysisJun 06, 2024 C111401
G2408495Certificate of AnalysisApr 26, 2024 C111401
G2408411Certificate of AnalysisApr 26, 2024 C111401
G2408151Certificate of AnalysisApr 26, 2024 C111401
L2322253Certificate of AnalysisDec 11, 2023 C111401
H1604115Certificate of AnalysisNov 08, 2023 C111401
A2218029Certificate of AnalysisOct 19, 2023 C111401
L2216634Certificate of AnalysisNov 18, 2022 C111401
A2220033Certificate of AnalysisJan 24, 2022 C111401

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Proprietà chimiche e fisiche
SolubilitàInsoluble in water; Very soluble in Alcohol,Ether
Indice di rifrazione1.43
Punto di infiammabilità (°F)60 °C
Punto di infiammabilità (°C)60°C
Punto di ebollizione (°C)183°C
Peso molecolare148.670 g/mol
XLogP34.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count6
Exact Mass148.102 Da
Monoisotopic Mass148.102 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity43.800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Riferimenti
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. 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,      [PMID:37263323] [10.1016/j.ijbiomac.2023.125133]
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).  [PMID:] [10.1007/s11814-022-1114-3]
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,      [PMID:] [10.1016/j.fuel.2021.121410]
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,      [PMID:] [10.1021/acs.iecr.9b00209]
6. Yinge Bai, Ruiyi Yan, Wenhui Tu, Jianguo Qian, Hongshuai Gao, Xiangping Zhang, Suojiang Zhang.  (2017)  Selective Separation of Methacrylic Acid and Acetic Acid from Aqueous Solution Using Carboxyl-Functionalized Ionic Liquids.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.7b03516]
7. 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]
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,      [PMID:] [10.1016/j.seppur.2017.05.013]
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,      [PMID:] [10.1016/j.cep.2017.02.004]
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,      [PMID:27157426] [10.1016/j.chroma.2016.04.044]
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,      [PMID:] [10.1016/j.tca.2016.03.020]
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,      [PMID:] [10.1016/j.seppur.2016.03.014]
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,      [PMID:] [10.1021/ie403849g]
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,  1  (2): (471-475).  [PMID:] [10.1002/celc.201300002]
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).  [PMID:23307514] [10.1002/elps.201200388]
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).  [PMID:22798189] [10.1007/s12010-012-9801-x]
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,      [PMID:] [10.1007/s13726-024-01375-w]
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).  [PMID:] [10.1007/s40544-023-0835-6]
19. 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]
20. 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]
21. Jiahui Li, Fulin Li, Yunzheng Li, Yuqing Wan, Xingran Xu, Xiang Zou.  (2026)  Selective purification of polymer-grade succinic acid from fermentation broths using a designed type III porous liquids [diOTMG]Cl@Zr-bptc.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.179082]
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