3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester

Base Information

• Chemical Name: 3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester
• CAS No.: 75147-20-5
• Molecular Formula: C8H9 Cl5 O2
• Molecular Weight: 314.42086
• European Community (EC) Number: 278-078-2
• DSSTox Substance ID: DTXSID5072802
• Nikkaji Number: J349.497G
• Mol file: 75147-20-5.mol

Synonyms:3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester;75147-20-5;Butyl 2,2,3,4,4-pentachloro-3-butenoate;EINECS 278-078-2;n-Butyl 2,2,3,4,4-pentachloro-3-butenoate;2,2,3,4,4-Pentachloro-3-butenoic acid, n-butyl ester;SCHEMBL2313978;C8-H9-Cl5-O2;DTXSID5072802;LS-47225;2,2,3,4,4-Pentachloro-3-butenoic acid butyl ester

Chemical Property of 3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester

Chemical Property:

• Vapor Pressure: 0.000158mmHg at 25°C
• Boiling Point: 331.2°C at 760 mmHg
• Flash Point: 127.5°C
• PSA: 26.30000
• Density: 1.467g/cm³
• LogP: 4.38910
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 313.901568
• Heavy Atom Count: 15
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

BUTYL 2,2,3,4,4-PENTACHLORO-3-BUTENOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C(C(=C(Cl)Cl)Cl)(Cl)Cl