Methyl 4-chloro-4-oxobut-2-enoate

Base Information

• Chemical Name: Methyl 4-chloro-4-oxobut-2-enoate
• CAS No.: 17081-97-9
• Molecular Formula: C5H5ClO3
• Molecular Weight: 148.546
• European Community (EC) Number: 887-191-1
• Nikkaji Number: J1.255.697G,J2.955.644J
• Mol file: 17081-97-9.mol

Synonyms:methyl 4-chloro-4-oxobut-2-enoate;17081-97-9;methyl4-chloro-4-oxobut-2-enoate;methyl (E)-4-chloro-4-oxobut-2-enoate;SCHEMBL2191661;(2-Butenedioic acid 1-methyl) chloride;methyl (2E)-4-chloro-4-oxobut-2-enoate;EN300-266541;EN300-366689;(E)-4-Oxo-4-chloro-2-butenoic acid methyl ester

Chemical Property of Methyl 4-chloro-4-oxobut-2-enoate

Chemical Property:

• Boiling Point: 55-60 °C(Press: 6 Torr)
• PSA: 43.37000
• Density: 1.273±0.06 g/cm3(Predicted)
• LogP: 0.48100
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 147.9927217
• Heavy Atom Count: 9
• Complexity: 150

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C=CC(=O)Cl
• Isomeric SMILES: COC(=O)/C=C/C(=O)Cl