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

CAS: 70735-27-2 Cat. No.: E464226 分子式: C₃H₅ClO 分子量: 93.53 EC番号: 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

同義語

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

仕様と純度

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

保管条件

Room temperature

名前と識別子

カノニカル・スマイル

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

異性体SMILES

[2H]C1(CO1)CCl

UN番号

2023

分子量

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
    • 分類 Epoxides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 屈折率: n20/D 1.438 (lit.)
• 引火点（°F）: 91.4 °F - closed cup
• 引火点（°C）: 33 °C - closed cup
• 沸点（°C）: 115-117℃ (lit.)
• 融点（°C）: −57℃ (lit.)
• 分子量: 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