1,3-Dichloro-2-propanol - ≥98% , CAS No.96-23-1

CAS: 96-23-1 Cat. No.: D110862 Formula: C₃H₆C_l2O Peso molecolare: 128.99 Beilstein Registry Number: 1732063 Numero EC: 202-491-9

GRADE & PURITY ≥98%

Synonyms

EINECS 247-787-9 | FT-0606643 | NSC 70982 | UN 2750 | DTXSID6025010 | HSDB 5302 | Gdch | J-503895 | Q10843705 | 1,3-Dichloroisopropyl alcohol | NCGC00091689-01 | NCGC00091689-03 | NSC70982 | NSC-70982 | CCRIS 953 | 1,3-DICHLORO-2-PROPANOL [IARC] | NCGC002

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Panoramica

1,3-Dichloro-2-propanol is a food processing contaminant. Biotransformation of 1,3-dichloro-2-propanol to epichlorohydrin by the whole cells of recombinant Escherichia coli via resin-based in situ product removal has been investigated.

Specifications

Sinonimi

EINECS 247-787-9 | FT-0606643 | NSC 70982 | UN 2750 | DTXSID6025010 | HSDB 5302 | Gdch | J-503895 | Q10843705 | 1,3-Dichloroisopropyl alcohol | NCGC00091689-01 | NCGC00091689-03 | NSC70982 | NSC-70982 | CCRIS 953 | 1,3-DICHLORO-2-PROPANOL [IARC] | NCGC002

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

FedEx DG Service

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488180371
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180371
• Sorrisi canonici: C(C(CCl)O)Cl
• IUPAC Name: 1,3-dichloropropan-2-ol
• InChIKey: DEWLEGDTCGBNGU-UHFFFAOYSA-N
• INCHI: 1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2
• Isomeri SMILES: C(C(CCl)O)Cl
• WGK Germania: 3
• RTECS: UB1400000
• Numero UN: 2750
• Gruppo di imballaggio: II
• Peso molecolare: 128.99
• Beilstein: 1732063
• Reaxy-Rn: 1732063
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732063&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Halohydrins
      • Subclass Chlorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Halohydrins
• Subclass: Chlorohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorohydrins
• Alternative Parents: Secondary alcohols Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Chlorohydrin - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Alkyl halide - Alkyl chloride - Alcohol - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as chlorohydrins. These are alcohols substituted by a chlorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• External Descriptors: secondary alcohol - organochlorine compound

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

Obiettivi associati (umani)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Fully miscible in water.
• Sensibilità: air sensitive
• Indice di rifrazione: 1.4802
• Punto di infiammabilità (°C): 85℃
• Punto di ebollizione (°C): 174°C
• Punto di fusione (°C): -4°C
• Peso molecolare: 128.979 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 127.98 Da
• Monoisotopic Mass: 127.98 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.000
• 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

Riferimenti

1. Yuqi Zhang, Jiasi Yan, Rixin You, Meng He, Ligen Wang, Minghui Liang.  (2023)  The effect of the interaction between Cu single atoms and Pt nanoparticles on the selective hydrogenation of epichlorohydrin to chloro-propanol.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2023.157382]

2. Yuchen Du, Yuan Guo, Xuan Xiao, Xiaonan Zhu, Ye Liu, Xiuhang Ruan, Xiaofei Huang, Youyong Yuan, Xinhua Wei.  (2022)  Glutathione depletion and photosensitizer activation augments efficacy of tumor photodynamic immunotherapy.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.136170]

3. Shiwei Luo, Di Ma, Ruili Wei, Wang Yao, Xinrui Pang, Ye Wang, Xiangdong Xu, Xinhua Wei, Yuan Guo, Xinqing Jiang, Youyong Yuan, Ruimeng Yang.  (2021)  A tumor microenvironment responsive nanoplatform with oxidative stress amplification for effective MRI-based visual tumor ferroptosis.  Acta Biomaterialia,      [PMID:34775124] [10.1016/j.actbio.2021.11.007]

4. Di Ma, Qingyu Zong, Yuchen Du, Fangzhou Yu, Xuan Xiao, Rong Sun, Yuan Guo, Xinhua Wei, Youyong Yuan.  (2021)  Sequential enzyme-activated macrotheranostic probe for selective tumor mitochondria targeting.  Acta Biomaterialia,      [PMID:34371167] [10.1016/j.actbio.2021.08.002]

5. Zhiyong Song, Huajuan Wang, Yang Wu, Jiangjiang Gu, Shuojun Li, Heyou Han.  (2018)  Fabrication of Bis-Quaternary Ammonium Salt as an Efficient Bactericidal Weapon Against Escherichia coli and Staphylococcus aureus.  ACS Omega,      [PMID:30411069] [10.1021/acsomega.8b01265]

6. Xiuzhen Qiu, Xian-Yan Xu, Yong Liang, Huishi Guo.  (2018)  The molecularly imprinted polymer supported by anodic alumina oxide nanotubes membrane for efficient recognition of chloropropanols in vegetable oils.  FOOD CHEMISTRY,      [PMID:29655736] [10.1016/j.foodchem.2018.03.071]

7. Jincheng Mao, Heng Zhang, Wenlong Zhang, Jinming Fan, Chong Zhang, Jinzhou Zhao.  (2017)  Dissymmetric beauty: A novel design of heterogemini viscoelastic surfactant for the clean fracturing fluid.  JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY,      [PMID:] [10.1016/j.jiec.2017.10.048]

8. Hongbin Ju, Lizhi Zhang, Heqin Guo, Litao Jia, Bo Hou, Debao Li, Tao Geng.  (2024)  Design of Organic–Inorganic Phase Transfer Hybrid Catalyst and Its Application in the Epoxidation of α-Olefins.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.4c00120]

9. Linlin Bian, Xue Ge, Senwei Feng, Guangxuan Chen, Kefeng Li, Xu Wang.  (2024)  Determination of chloropropanol esters and glycidyl esters in instant noodles based on solid-phase microextraction with chitosan-β-cyclodextrin coated fiber.  FOOD CHEMISTRY,      [PMID:38237296] [10.1016/j.foodchem.2024.138419]

10. Hong-Bin Ju, Li-Zhi Zhang, De-Bao Li, Tao Geng, Ya-Jie Jiang, Ya-Kui Wang.  (2024)  The influence of hydrogen bonding on the structure of organic–inorganic hybrid catalysts and its application in the solvent-free epoxidation of α-olefins.  RSC Advances,  14  (18): (12853-12863).  [PMID:38650685] [10.1039/D4RA01399A]