Epichlorohydrin-2-d (Cas No 70735-27-2) ≥97 atom% D,≥99%, contains hydroquinone as stabilizer high purity and research grade

Sonrisas canónicas	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
Isómeros SMILES	[2H]C1(CO1)CCl
Número ONU	2023
Peso molecular	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
Clase	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
Descripción	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
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propiedades químicas y físicas

Índice de refracción	n20/D 1.438 (lit.)
Punto de inflamación (°F)	91.4 °F - closed cup
Punto de inflamación (°C)	33 °C - closed cup
Punto de ebullición (°C)	115-117℃ (lit.)
Punto de fusión (°C)	−57℃ (lit.)
Peso molecular	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 Å²
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

Calculadoras de soluciones

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Reseñas

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