Epichlorohydrin-d5 - ≥98 atom% D,≥98% , CAS No.69533-54-6

CAS: 69533-54-6 Cat. No.: E137334 Fórmula: C₃D₅ClO Peso molecular: 97.56 Número EC: 685-801-9

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

Epichlorohydrin-d5|69533-54-6|2-[chloro(dideuterio)methyl]-2,3,3-trideuteriooxirane|Oxirane-d3, (chloromethyl-d2)-|DTXSID60584038|2-[chloro(?H?)methyl](?H?)oxirane|AKOS015913621|D98937|2-[Chloro(~2~H_2_)methyl](~2~H_3_)oxirane|Epichlorohydrin-d5, >=98 ato

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

Epichlorohydrin-d5 | 69533-54-6 | 2-[chloro(dideuterio)methyl]-2,3,3-trideuteriooxirane | Oxirane-d3, (chloromethyl-d2)- | DTXSID60584038 | 2-[chloro(?H?)methyl](?H?)oxirane | AKOS015913621 | D98937 | 2-[Chloro(~2~H_2_)methyl](~2~H_3_)oxirane | Epichlorohydrin-d5, >=98 ato

Especificaciones y pureza

≥98 atom% D,≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light

Enviado en

Wet ice

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

Pureza

≥98 atom% D,≥98%

Nombres e identificadores

Pubchem Sid

508814759

Sonrisas canónicas

C1C(O1)CCl

IUPAC Name

2-[chloro(dideuterio)methyl]-2,3,3-trideuteriooxirane

InChIKey

BRLQWZUYTZBJKN-UXXIZXEISA-N

INCHI

1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/i1D2,2D2,3D

Isómeros SMILES

[2H]C1(C(O1)([2H])C([2H])([2H])Cl)[2H]

WGK Alemania

3

Peso molecular

97.56

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
    • Clase Epoxides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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: 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

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Rotación específica [α]: n20/D 1.438
• Punto de inflamación (°F): 91.4 °F
• Punto de inflamación (°C): 33 °C
• Punto de ebullición (°C): 115-117 °C
• Punto de fusión (°C): −57 °C
• Peso molecular: 97.550 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 97.0343 Da
• Monoisotopic Mass: 97.0343 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 37.900
• Isotope Atom Count: 5
• 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