Diethyl fumarate - CAS 623-91-6

Catalog: BB031571
Product Name: Diethyl fumarate
CAS: 623-91-6
Synonyms: diethyl (E)-but-2-enedioate
Diethyl fumarate
IUPAC Name:diethyl (E)-but-2-enedioate
Description:Diethyl fumarate (CAS# 623-91-6) is a reagent in the preparation of chiral hydroisoindolines via Diels-Alder cycloaddition which are potent, brain-penetrant, human neurokinin-1 receptor antagonists.
Molecular Weight:172.18
Molecular Formula:C8H12O4
Canonical SMILES:CCOC(=O)C=CC(=O)OCC
InChI:InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChI Key:IEPRKVQEAMIZSS-AATRIKPKSA-N
Boiling Point:218-219 ℃
Melting Point:0.8 °C
Flash Point:104 °C Closed Cup
Purity:97 %
Density:1.052 g/cm3
Appearance:White crystal or in liquid form
Decomposition:When heated to decomposition it emits acrid smoke and fumes
MDL:MFCD00064455
LogP:0.66880
Vapor Pressure:0.17 [mmHg]

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