Brallobarbital

Base Information

• Chemical Name: Brallobarbital
• CAS No.: 561-86-4
• Molecular Formula: C10H11 Br N2 O3
• Molecular Weight: 287.11
• European Community (EC) Number: 209-225-0
• UNII: D0N7A2M3MU
• DSSTox Substance ID: DTXSID60204648
• Nikkaji Number: J6.499H
• Wikipedia: Brallobarbital
• Wikidata: Q4956062
• NCI Thesaurus Code: C74380
• ChEMBL ID: CHEMBL2106093
• Mol file: 561-86-4.mol

Synonyms:brallobarbital

Chemical Property of Brallobarbital

Chemical Property:

• Melting Point: 168-169°
• Boiling Point: °Cat760mmHg
• PKA: 7.66±0.10(Predicted)
• Flash Point: °C
• PSA: 82.25000
• Density: 1.451g/cm³
• LogP: 1.76540
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 285.99530
• Heavy Atom Count: 16
• Complexity: 370

Purity/Quality:

98%,99%, ^*data from raw suppliers

BRALLOBARBITAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC1(C(=O)NC(=O)NC1=O)CC(=C)Br
• Uses: Brallobarbital is a barbiturate derivative and the brominated analogue of Allobarbital (A544500). Brallobarbital has sedative and hypnotic properties and was used for the treatment of insomnia. Brallobarbital is a Controlled Substance.