(±)-Epichlorohydrin - ≥99.5%(GC) , CAS No.106-89-8

CAS: 106-89-8 Cat. No.: E108184 Formula: C₃H₅ClO Peso molecolare: 92.52 Beilstein Registry Number: 79785 Numero EC: 203-439-8

GRADE & PURITY ≥99.5%(GC)

Synonyms

Chloromethyloxirane | Epichlorohydrin | 1-Chloro-2,3-epoxypropane | 3-Chloropropylene Oxide

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Panoramica

(±)-Epichlorohydrin is an organochlorine compound, used in the manufacturing of epoxy resins, plasticizers, dye stuffs, lubricants, pharmaceuticals, adhesives and oil emulsification products.

Specifications

Sinonimi

Chloromethyloxirane | Epichlorohydrin | 1-Chloro-2,3-epoxypropane | 3-Chloropropylene Oxide

Specifiche e purezza

≥99.5%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

FedEx DG Service

Purezza

≥99.5%(GC)

Nomi e identificatori

Pubchem Sid

508814757

Sorrisi canonici

C1C(O1)CCl

IUPAC Name

2-(chloromethyl)oxirane

InChIKey

BRLQWZUYTZBJKN-UHFFFAOYSA-N

INCHI

1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2

Isomeri SMILES

C1C(O1)CCl

Numero UN

2023

Gruppo di imballaggio

II

Peso molecolare

92.52

Beilstein

79785

Reaxy-Rn

79785

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=79785&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Epoxides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Epoxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Epoxides
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as epoxides. These are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms).
• External Descriptors: organochlorine compound - epoxide

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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Discover Target: ALDH1A1

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Lymphoblastoid cell (5959 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water, miscible with alcohols, ethers, carbon tetrachloride, and benzene.
• Indice di rifrazione: 1.4382
• Punto di infiammabilità (°C): 32℃
• Punto di ebollizione (°C): 116.11°C
• Punto di fusione (°C): -25.6°C
• Peso molecolare: 92.520 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 92.0029 Da
• Monoisotopic Mass: 92.0029 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 37.900
• 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