Bis(pentabromophenyl) fumarate

Base Information

• Chemical Name: Bis(pentabromophenyl) fumarate
• CAS No.: 68091-86-1
• Molecular Formula: C16H2Br10O4
• Molecular Weight: 1057.22468
• European Community (EC) Number: 239-158-2,268-451-8
• DSSTox Substance ID: DTXSID601163097
• Nikkaji Number: J241.397C
• Mol file: 68091-86-1.mol

Synonyms:Bis(pentabromophenyl) fumarate;Bis(perbromophenyl) maleate;15108-51-7;Pentabromophenyl maleate;Pentabromophenyl fumarate;bis(2,3,4,5,6-pentabromophenyl) (E)-but-2-enedioate;EINECS 239-158-2;EINECS 268-451-8;2-Butenedioic acid (2E)-, 1,4-bis(2,3,4,5,6-pentabromophenyl) ester;2-Butenedioic acid (2E)-, bis(pentabromophenyl) ester;2-Butenedioic acid (2Z)-, 1,4-bis(2,3,4,5,6-pentabromophenyl) ester;68091-86-1;C16H2Br10O4;2-Butenedioic acid (2Z)-, bis(pentabromophenyl) ester;C16-H2-Br10-O4;2-Butenedioic acid (Z)-, bis(pentabromophenyl) ester;Bis-(pentabromophenyl)fumarate;DTXSID601163097;Fumaric acid bis(pentabromophenyl) ester;Fumaric acid, bis(pentabromophenyl) ester

Chemical Property of Bis(pentabromophenyl) fumarate

Chemical Property:

• XLogP3: 10.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 1057.16844
• Heavy Atom Count: 30
• Complexity: 580

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(=CC(=O)OC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)C(=O)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br
• Isomeric SMILES: C(=C/C(=O)OC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)\C(=O)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br