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

CAS: 69533-54-6 Cat. No.: E137334 Formule: C₃D₅ClO Poids moléculaire: 97.56 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98 atom% D,≥98%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98 atom% D,≥98%

Noms et identifiants

Pubchem Sid

508814759

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

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
    • 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Rotation spécifique [α]: n20/D 1.438
• Point d'éclair (°F): 91.4 °F
• Point d'éclair (°C): 33 °C
• Point d'ébullition (°C): 115-117 °C
• Point de fusion (°C): −57 °C
• Poids moléculaire: 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