Butyl hydrogen tetrabromophthalate

Base Information

• Chemical Name: Butyl hydrogen tetrabromophthalate
• CAS No.: 42597-49-9
• Molecular Formula: C12H10 Br4 O4
• Molecular Weight: 537.8214
• European Community (EC) Number: 255-903-4
• DSSTox Substance ID: DTXSID40885873
• Nikkaji Number: J309.956C
• Wikidata: Q82864570
• Mol file: 42597-49-9.mol

Synonyms:Butyl hydrogen tetrabromophthalate;42597-49-9;Monobutyl tetrabromophthalate;EINECS 255-903-4;1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, 1-butyl ester;1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, monobutyl ester;3,4,5,6-Tetrabromo-1,2-benzenedicarboxylic acid, monobutyl ester;C12H10Br4O4;SCHEMBL11871467;DTXSID40885873;C12-H10-Br4-O4;3,4,5,6-Tetrabromo-1,2-benzenedicarboxylic acid hydrogen 1-butyl ester

Chemical Property of Butyl hydrogen tetrabromophthalate

Chemical Property:

• Vapor Pressure: 2.24E-11mmHg at 25°C
• Boiling Point: 513.7°Cat760mmHg
• PKA: 1.08±0.36(Predicted)
• Flash Point: 264.4°C
• PSA: 63.60000
• Density: 2.116g/cm³
• LogP: 5.39170
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 537.72716
• Heavy Atom Count: 20
• Complexity: 365

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C1=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O

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