3-Chloro-1-propanol - ≥98% , CAS No.627-30-5

CAS: 627-30-5 Cat. No.: C109471 Peso molecular: 94.54 Beilstein Registry Number: 773655 Número EC: 210-992-9

GRADE & PURITY ≥98%

Synonyms

3-Chloro-1-propanol 100 microg/mL in Acetonitrile | EN300-22342 | 3-Chlorpropan-1-ol | AI3-61821 | 3-Chloro-1-propanol, 98% | 3-Chloropropane-1-ol | CCRIS 4767 | DTXSID9024809 | CAS-627-30-5 | EINECS 210-992-9 | Q-200369 | Q27251597 | 1-Propanol, 3-chloro

Storage

Room temperature

Shipped In

FedEx DG Service

Descripción general

Improved Synthesis of Pheromone Components: 3-chloro-1-propanol is used as a linchpin to connect the two synthetic blocks in the synthesis of 6,14-dimethyl-1-octadecene. It is likely used as a reactant in a chemical reaction to facilitate the coupling of the two synthetic blocks, enabling the formation of the desired compound.

Specifications

Sinónimos

3-Chloro-1-propanol 100 microg/mL in Acetonitrile | EN300-22342 | 3-Chlorpropan-1-ol | AI3-61821 | 3-Chloro-1-propanol, 98% | 3-Chloropropane-1-ol | CCRIS 4767 | DTXSID9024809 | CAS-627-30-5 | EINECS 210-992-9 | Q-200369 | Q27251597 | 1-Propanol, 3-chloro

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752303
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752303
• Sonrisas canónicas: C(CO)CCl
• IUPAC Name: 3-chloropropan-1-ol
• InChIKey: LAMUXTNQCICZQX-UHFFFAOYSA-N
• INCHI: 1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2
• Isómeros SMILES: C(CO)CCl
• WGK Alemania: 3
• RTECS: UA8930000
• Número ONU: 2849
• Grupo de embalaje: III
• Peso molecular: 94.54
• Beilstein: 773655
• Reaxy-Rn: 773655
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773655&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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: Soluble in water at 20°C 300g/L.
• Sensibilidad: Light sensitive.
• Índice de refracción: 1.444-1.446
• Punto de inflamación (°F): 167 °F
• Punto de inflamación (°C): 75℃
• Punto de ebullición (°C): 160-162°C
• Punto de fusión (°C): -20°C
• Peso molecular: 94.540 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 94.0185 Da
• Monoisotopic Mass: 94.0185 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 16.400
• 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. Xue-Li Liu, Yi-Fan Chen, Jing-Jing Yang, Si-Jin Li, Hua-Le Xie, Tian-Lin Ma.  (2022)  Effect of Molar Substitution on the Properties of γ-Hydroxypropyl Starch.  MOLECULES,  27  (7): (2119).  [PMID:35408517] [10.3390/molecules27072119]

2. Sisi Yuan, Yifan Wang, Xiujun Wang, Yongjun Wang, Shuai Liu, Ming Duan, Shenwen Fang.  (2022)  Efficient demulsification of cationic polyacrylate for oil-in-water emulsion: Synergistic effect of adsorption bridging and interfacial film breaking.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2022.128393]

3. Lingxiao Ma, Xiuzhong Zhu, Wanbin Zhang, Haitao Zhang, Jianyong Wang, Jianbo Qu.  (2021)  Study on the preparation and performance comparison of side-chain hydroxyl-terminated polybutadiene derivatives with narrowly molecular weight distribution used for polyurethane.  POLYMER TESTING,      [PMID:] [10.1016/j.polymertesting.2021.107389]

4. Shenwen Fang, Weixin Hu, Qingqing Tang, Manlin Wang, Xiujun Wang, Ming Duan.  (2021)  Synthesis of polytriethanolamine based surfactant and its flotation performance evaluation of oilfield produced water treatment.  JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY,      [PMID:] [10.1080/01932691.2021.1947850]

5. Yifan Wang, Shenwen Fang, Xiujun Wang, Yongjun Wang, Yan Xiong, Ming Duan.  (2021)  Synthesis of a novel reverse demulsifier with the characteristics of polyacrylate and polycation and its demulsification performance.  JOURNAL OF APPLIED POLYMER SCIENCE,  138  (41): (51200).  [PMID:] [10.1002/app.51200]

6. Xue-Li Liu, Kun Zhang, Yu Hu, Zhengjuan Zhang, Jun Chen, TianLin Ma, JiaJia Wang.  (2020)  Determination of Molar Substitution of γ-Hydroxypropyl Starch.  STARCH-STARKE,      [PMID:] [10.1002/star.202000013]

7. Weilong Chen, Kun Wu, Bingfei Nan, Mangeng Lu.  (2019)  High thermal conductivity and excellent flexibility of crystalline polyesters with flexible segments in main chains.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2019.104370]

8. Guowei Wang, Xiaoqing Xu, Yu Sun, Linghua Zhuang, Cheng Yao.  (2019)  Relationship between structure and biodegradability of gemini imidazolium surface active ionic liquids.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2018.12.066]

9. Wanbin Zhang, Guanghua Zhang, Lun Du, Ce Zhang, Lu Li, Junfeng Zhu, Jing Pei, Jiang Wu.  (2018)  Synthesis of hydroxyl-terminated polybutadiene bearing pendant carboxyl groups by combination of anionic polymerization and blue light photocatalytic thiol-ene reaction and its pH-triggered self-assemble behavior.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2018.04.003]

10. Xiu-zhong Zhu, Xiao-dong Fan, Na Zhao, Xin Min, Jie Liu, Zi-chao Wang.  (2017)  Influence of mono-lithium based initiators with different steric volumes on 1,4 unit content of hydroxyl terminated polybutadiene using anionic polymerization.  RSC Advances,  7  (83): (52712-52718).  [PMID:] [10.1039/C7RA11117G]

11. Li Maohua, Gong Ping, Zhang Zhenbang, Li Linhong, Chen Yapeng, Qin Yue, Guo Yingying, Yang Rongjie, Zhang Jianxiang, Zhou Yiwei, Xu Kang, Wang Yandong, Do Hainam, Jia Xiaofei, Cai Tao, Lin Cheng-Te, Jiang Nan, Yu Jinhong.  (2024)  Electric-field-aligned liquid crystal polymer for doubling anisotropic thermal conductivity.  Communications Materials,  5  (1): (1-9).  [PMID:] [10.1038/s43246-024-00455-x]

12. Haidong Jia, Han Jia, Qiuxia Wang, Yingbiao Xu, Bowen Wang, Qiang Wang, Xu Li, Zhe Wang, Kaihe Lv, Pan Huang.  (2024)  Imidazolium-Based Polymeric Ionic Liquids with Short Alkyl Chains as Green Corrosion Inhibitors for Mild Steel in 1 M HCl: Experimental and Theoretical Investigations.  LANGMUIR,      [PMID:38932615] [10.1021/acs.langmuir.4c01633]

13. Ruping Huang, Jingchun Zhang, Qiqi Wang, Haoyuan Chen, Yiyue Shen, Yupei Deng, Guowei Wang, Linghua Zhuang.  (2024)  Phase diagrams and formulation mechanism of microemulsions with hydroxyl group functional anionic surface active ionic liquids.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2024.134285]

14. Yang Zhao, Xinyue Zhao, Lewei Duan, Ruxue Hou, Yuxin Gu, Zhen Liu, Jianbin Chen, Feizhen Wu, Limin Yang, X. Chris Le, Qiuquan Wang, Xiaowen Yan.  (2024)  Reinvent Aliphatic Arsenicals as Reversible Covalent Warheads toward Targeted Kinase Inhibition and Non-acute Promyelocytic Leukemia Cancer Treatment.  JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:38556750] [10.1021/acs.jmedchem.3c02076]

15. Song Zou, Guichun He, Xinyang Yu, Hong Zhong.  (2024)  Three novel dithiocarbamate surfactants: Synthesis, DFT calculation and flotation mechanism to chalcopyrite.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2024.125993]

16. Wang Ying, Liu Wenda, Zhao Huimin, Zhu Yu, Wang Qiqi, Wei Jinli, Javed Maroosha, Zhuang Linghua, Wang Guowei.  (2025)  Dissolution feature of microcrystalline cellulose with hydroxyl-containing ionic liquids: experimental and theoretical studies.  IONICS,      [PMID:] [10.1007/s11581-025-06249-6]

17. Zhao Huimin, Song Shengjiao, Zhang Yilin, Javed Maroosha, Wang Ying, Wei Jinli, Zhu Yu, Zhuang Linghua, Wang Guowei, Tan Xiaoyan.  (2025)  Experimental and theoretical studies on starch dissolution with hydroxyl-based ionic liquids: number of hydroxyl group and alkyl chain length.  IONICS,      [PMID:] [10.1007/s11581-025-06910-0]

18. Dachuan Zhang, Ni Yang, Yang Zhou, Haomin Yu, Jingning Cao, Minghao Wang, Si Wu.  (2025)  Visible-light-responsive gels with long-lasting functions via combining metallopolymers and coordination solvents with reduced volatilization.  Polymer Chemistry,      [PMID:] [10.1039/D5PY01126D]

19. Wajeeha Fatima, Jie Chen, Jiujiang Zhao, Ning Zhang, Mengxin Xiao, Huiya Zhang, Qi Chen, Xiong Yin, Minghui Liang.  (2026)  Manipulating electronic and geometric effect from Co single atoms to Pt nanoparticles in the selective hydrogenation of Epichlorohydrin.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D5TA09619G]