Barbital

Base Information Edit

Chemical Name:Barbital
CAS No.:57-44-3
Deprecated CAS:145630-92-8,53527-29-0,6599-82-2
Molecular Formula:C8H12N2O3
Molecular Weight:184.195
Hs Code.:
European Community (EC) Number:200-331-2
NSC Number:759567,31352
UNII:5WZ53ENE2P
DSSTox Substance ID:DTXSID5022643
Nikkaji Number:J2.326D
Wikipedia:Barbital
Wikidata:Q412409
NCI Thesaurus Code:C76526
Metabolomics Workbench ID:52047
ChEMBL ID:CHEMBL444
Mol file:57-44-3.mol

Synonyms:Barbital;Barbitone;Diemal;Diethylmalonylurea;Dormileno;Ethylbarbital;Medinal;Veronal

This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Barbital Edit

Chemical Property:

Appearance/Colour:odorless, slightly bitter, white crystalline powder
Melting Point:188-192°C
Refractive Index:1.458
Boiling Point:318.14°C (rough estimate)
PKA:7.43(at 25℃)
Flash Point:11 °C
PSA：75.27000
Density:1.14 g/cm³
LogP:0.81640
Storage Temp.:2-8°C
Water Solubility.:7.149g/L(25 oC)
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:184.08479225
Heavy Atom Count:13
Complexity:247

Purity/Quality:

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn,T,F
Statements: 22-39/23/24/25-23/24/25-11-63-40-20
Safety Statements: 36-45-36/37-16-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCC1(C(=O)NC(=O)NC1=O)CC
Description Barbital is an analytical reference material that is categorized as a barbiturate. It acts as an agonist at GABAA receptors to induce central nervous system depression. Formulations containing barbital have been used as a sedative to treat insomnia and seizures in human and veterinary medicine. Barbital is regulated as a Schedule IV compound in the United States. This product is intended for research and forensic applications. Barbital (CRM) (Item No. 22854) is a certified reference material categorized as a barbiturate. Barbital is regulated as a Schedule IV compound in the United States. Barbital (CRM) (Item No. 22854) is provided as a DEA exempt preparation. This product is intended for research and forensic applications.
Uses Prototype of the barbiturate hypnotics.

Technology Process of Barbital

There total 104 articles about Barbital which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 71.0%

: 13869-77-7,1427026-67-2
trans-[PtCl₂(2-hmpy)₂]

: 144-02-5
sodium barbital

: 57-44-3
diethylbarbituric acid

: C₁₂H₁₂N₂O₂Pt*4H₂O

Guidance literature:: In water; at 20 - 70 ℃; for 72h;
DOI:10.1016/j.bmcl.2013.01.119

Reference yield: 71.0%

: 64-10-8
phenyl carbamate

: 57-13-6
urea

: 57-44-3
diethylbarbituric acid

Guidance literature:: With tetraethylammonium perchlorate; In N,N-dimethyl-formamide; Ambient temperature; electrolysis;
DOI:10.1248/cpb.37.3117