2,3-Dichloro-1-propanol - ≥98%(GC) , CAS No.616-23-9

CAS: 616-23-9 Cat. No.: D154496 Formula: C₃H₆Cl₂O Peso molecolare: 128.98 Beilstein Registry Number: 1732060 Numero EC: 210-470-0

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS005258351 | alpha,beta-Dichlorohydrin | MLS002415683 | .beta.-Dichlorohydrin | 2,3-DICHLOROPROPANOL | FT-0609536 | NCGC00090834-01 | 1,2-Dichloropropanol-3 | FT-0666618 | 88I7UKE7IM | 2,3-Dichloropropan-1-ol | Glycerol .alpha.,.beta.-dichlorohydrin |

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

2,3-Dichloro-1-propanol belongs to the group of chloropropanols.[2] Inhibitory effects of 2,3-dichloro-1-propanol on T cell both in vivo and in vitro is reported.[2] Improved enantioselective resolution of (R,S)-2,3-dichloro-1-propanol to (S)-2, 3-dichloro-1-propanol by whole cells of a recombinant Escherichia coli in n-heptane-aqueous biphasic system is reported.

Specifications

Sinonimi

AKOS005258351 | alpha,beta-Dichlorohydrin | MLS002415683 | .beta.-Dichlorohydrin | 2,3-DICHLOROPROPANOL | FT-0609536 | NCGC00090834-01 | 1,2-Dichloropropanol-3 | FT-0666618 | 88I7UKE7IM | 2,3-Dichloropropan-1-ol | Glycerol .alpha.,.beta.-dichlorohydrin |

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488181511
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181511
• Sorrisi canonici: C(C(CCl)Cl)O
• IUPAC Name: 2,3-dichloropropan-1-ol
• InChIKey: ZXCYIJGIGSDJQQ-UHFFFAOYSA-N
• INCHI: 1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2
• Isomeri SMILES: C(C(CCl)Cl)O
• WGK Germania: 3
• RTECS: UB1225000
• Numero UN: 2810
• Gruppo di imballaggio: I
• Peso molecolare: 128.98
• Beilstein: 1732060
• Reaxy-Rn: 1732060
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732060&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: Primary alcohols Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chlorohydrin - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - 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: 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility in water: Practically insoluble; Soluble in Acetone,Ether,Ethanol
• Indice di rifrazione: 1.48
• Punto di infiammabilità (°F): 199.4℉
• Punto di infiammabilità (°C): 93°C
• Punto di ebollizione (°C): 182°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: 32.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1