Fumaric acid, bis(2-chloroethyl) ester

Base Information

• Chemical Name: Fumaric acid, bis(2-chloroethyl) ester
• CAS No.: 5335-09-1
• Molecular Formula: C8H10Cl2O4
• Molecular Weight: 241.0686
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID301031633
• Nikkaji Number: J61.652D
• Wikidata: Q76325299
• Mol file: 5335-09-1.mol

Synonyms:63917-06-6;Di-2-chloroethyl maleate;MALEIC ACID, DI(2-CHLOROETHYL) ESTER;Bis(3-chloroethyl) fumarate;FUMARIC ACID, BIS(2-CHLOROETHYL) ESTER;NSC 2881;Fumaric acid, bis(2-chlorethyl) ester;2-Butenedioic acid (E)-, bis(2-chloroethyl) ester;SCHEMBL11049973;C8-H10-Cl2-O4;DTXSID301031633;Maleic acid di(2-chloroethyl) ester;Bis(2-chloroethyl) (2Z)-2-butenedioate;LS-69826;LS-88644;2-Butenedioic acid (Z)-, bis(2-chloroethyl) ester;2-Butenedioic acid,?bis(2-chloroethyl)?ester, (2Z)-

Chemical Property of Fumaric acid, bis(2-chloroethyl) ester

Chemical Property:

• Vapor Pressure: 0.000139mmHg at 25°C
• Boiling Point: 333.2°Cat760mmHg
• Flash Point: 140.9°C
• PSA: 52.60000
• Density: 1.31g/cm³
• LogP: 1.10660
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 239.9956142
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)OC(=O)C=CC(=O)OCCCl
• Isomeric SMILES: C(CCl)OC(=O)/C=C\C(=O)OCCCl

Technology Process of Fumaric acid, bis(2-chloroethyl) ester

There total 1 articles about Fumaric acid, bis(2-chloroethyl) ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

fumaryl dichloride (627-63-4) + 2-chloro-ethanol (107-07-3) → di(2-chloroethyl) fumarate (5335-09-1)

Guidance literature:

at 100 ℃;

Reference yield:

di(2-chloroethyl) fumarate (5335-09-1) + bis-1,4-(hydroxymethyl)cyclohexane (105-08-8) → (E)-But-2-enedioic acid 2-chloro-ethyl ester 4-hydroxymethyl-cyclohexylmethyl ester + (E)-But-2-enedioic acid 2-chloro-ethyl ester 4-hydroxymethyl-cyclohexylmethyl ester

Guidance literature:

Yield given. Yields of byproduct given. Title compound not separated from byproducts; porcine pancreas lipase, methyl tert-butyl ether, 38 deg C;

DOI:10.1016/S0040-4020(01)80410-5

Reference yield:

di(2-chloroethyl) fumarate (5335-09-1) + bis-1,4-(hydroxymethyl)cyclohexane (105-08-8) → (E)-But-2-enedioic acid 4-[(E)-3-(2-chloro-ethoxycarbonyl)-acryloyloxymethyl]-cyclohexylmethyl ester 2-chloro-ethyl ester + (E)-But-2-enedioic acid 4-[(E)-3-(2-chloro-ethoxycarbonyl)-acryloyloxymethyl]-cyclohexylmethyl ester 2-chloro-ethyl ester

Guidance literature:

Yield given. Yields of byproduct given. Title compound not separated from byproducts; porcine pancreas lipase, methyl tert-butyl ether, 38 deg C;

DOI:10.1016/S0040-4020(01)80410-5

upstream raw materials:

fumaryl dichloride

2-chloro-ethanol