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

CAS: 69533-54-6 Cat. No.: E137334 Molecular Weight: 97.56 EC Number: 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

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

Specifications & Purity

≥98 atom% D, ≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98 atom% D, ≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: [2H]C1(C(O1)([2H])C([2H])([2H])Cl)[2H]
• WGK Germany: 3
• Molecular Weight: 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
    • Class Epoxides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Specific Rotation[α]: n20/D 1.438
• Flash Point(°F): 91.4 °F
• Flash Point(°C): 33 °C
• Boil Point(°C): 115-117 °C
• Melt Point(°C): −57 °C
• Molecular Weight: 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