Epichlorohydrin-2-d - ≥97 atom% D,≥99%, contains hydroquinone as stabilizer , CAS No.70735-27-2

CAS: 70735-27-2 Cat. No.: E464226 Formule: C₃H₅ClO Poids moléculaire: 93.53 Numéro CE: 685-804-5

GRADE & PURITY contains hydroquinone as stabilizer

Synonyms

Epichlorohydrin-2-d, >=97 atom % D, >=99% (CP), contains hydroquinone as stabilizer | Epichlorohydrin-2-d | D99350 | DTXSID10514729 | 2-(Chloromethyl)(2-~2~H)oxirane | Epichlorohydrin-2-d1 | 2-(chloromethyl)-2-deuteriooxirane

Storage

Room temperature

Specifications

Synonymes

Epichlorohydrin-2-d, >=97 atom % D, >=99% (CP), contains hydroquinone as stabilizer | Epichlorohydrin-2-d | D99350 | DTXSID10514729 | 2-(Chloromethyl)(2-~2~H)oxirane | Epichlorohydrin-2-d1 | 2-(chloromethyl)-2-deuteriooxirane

Spécifications et pureté

≥97 atom% D,≥99%, contains hydroquinone as stabilizer

Conditions de stockage de stockage

Room temperature

Noms et identifiants

• Sourires canoniques: C1C(O1)CCl
• IUPAC Name: 2-(chloromethyl)-2-deuteriooxirane
• InChIKey: BRLQWZUYTZBJKN-WFVSFCRTSA-N
• INCHI: 1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/i3D
• Isomères SMILES: [2H]C1(CO1)CCl
• Numéro ONU: 2023
• Poids moléculaire: 93.53
• 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

• Indice de réfraction: n20/D 1.438 (lit.)
• Point d'éclair (°F): 91.4 °F - closed cup
• Point d'éclair (°C): 33 °C - closed cup
• Point d'ébullition (°C): 115-117℃ (lit.)
• Point de fusion (°C): −57℃ (lit.)
• Poids moléculaire: 93.530 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 93.0092 Da
• Monoisotopic Mass: 93.0092 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 37.900
• Isotope Atom Count: 1
• 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