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Epichlorohydrin-2-d - ≥97 atom% D, ≥99% (CP), contains hydroquinone as stabilizer, high purity , CAS No.70735-27-2
Basic Description
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
Specifications & Purity
≥97 atom% D,≥99%, contains hydroquinone as stabilizer
Taxonomic Classification
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.
Names and Identifiers
IUPAC Name
2-(chloromethyl)-2-deuteriooxirane
INCHI
InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/i3D
InChIKey
BRLQWZUYTZBJKN-WFVSFCRTSA-N
Smiles
C1C(O1)CCl
Isomeric SMILES
[2H]C1(CO1)CCl
UN Number
2023
Molecular Weight
93.53
Reaxy-Rn
79785
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=79785&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
n20/D 1.438 (lit.)
Flash Point(°F)
91.4 °F - closed cup
Flash Point(°C)
33 °C - closed cup
Boil Point(°C)
115-117℃ (lit.)
Melt Point(°C)
−57℃ (lit.)
Molecular Weight
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
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