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HCID 2294Erstellt: 26. Oktober 2026

Barbital

VERONAL · Deba · BARBITONE · Barbitone acid · 5,5-DIETHYLBARBITURIC ACID · DIETHYLBARBITURIC ACID · 5,5-diethyl-1,3-diazinane-2,4,6-trione · Malona

https://huagongshe.com/de/chemical/2294

Molekülstruktur von Barbital

Identifikatoren & physikalische Daten

CAS No.57-44-3
SummenformelC8H12N2O3
Durchschnittliche Molmasse184,19 g/mol
Monoisotopische Masse184,08479224 g/mol
SMILESCCC1(CC)C(=O)NC(=O)NC1=O
InChIKeyFTOAOBMCPZCFFF-UHFFFAOYSA-N
PubChem CID2294
ChEMBLCHEMBL444
ChEBICHEBI:31252
EC No.200-331-2
DTXSIDDTXSID5022643
Lokaler NameBarbital

Chemische & physikalische Eigenschaften

XLogP0,6
Polarare Oberfläche (TPSA)75,3
H-Brücken-Donoren2
H-Brücken-Akzeptoren3
Frei drehbare Bindungen2
Schwere Atome13
Formalladung0
Komplexität247
ArzneimittelDEA NFLIS-Drug Category -> Depressants and TranquilizersDEA Schedule IV Controlled Substance -> DepressantsPharmaceuticals -> BarbituratesPharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
SpringerMaterials PropertiesCrystal structure
LogP (Verteilungskoeffizient)0.71
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Dissociation Constants8.14 (at 15 °C)
Collision Cross Section145.28 Ų [M+K]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Schmelzpunkt188-192°C
Siedepunkt318.14°C (rough estimate)
Dichte1.2200
Brechungsindex1.4200 (estimate)
Flammpunkt11 °C
Lagerbedingungen2-8°C
LöslichkeitDMSO (Slightly), Methanol (Slightly)7.149g/L(25 ºC)
AggregatzustandSolid
pKa (Säurekonstante)7.43(at 25℃)
FarbeFaintly bitter crystals from H2Opolymorphicformstriagonal crystals, monoclinic prisms, monoclinicneedles, and triclinic cryst
Merck13,965
Hauptanwendungenforensics and toxicologypharmaceutical (small molecule)veterinary
InChI1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyFTOAOBMCPZCFFF-UHFFFAOYSA-N
SMILESCCC1(CC)C(=O)NC(=O)NC1=O
EPA chemische Informationen5,5-Diethylbarbituric acid (57-44-3)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Regulatorische InformationenDEA schedule IV controlled substanceStatus: Active Update: 26-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17765Barbitone: Does not have an individual approval but may be used under an appropriate group standard
Weitere SicherheitsinformationenIMAP assessments - 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)3
UN-TransportnummerUN 1230 3/PG 2
RTECS-Nr.CQ3500000
R-Sätze (R)22-39/23/24/25-23/24/25-11-63-40-20
ToxizitätLDLo orl-cat: 280 mg/kg PHREA7 19,472,39
GefahrensymboleXn,T,F
Sicherheitshinweise (S)36-45-36/37-16-7
Lagerklasse11 - Combustible Solids
GefahrenklasseAcute Tox. 4 Oral
DEA Controlled SubstancesCSCN: 2145CSA SCH: Schedule IVNARC: No

Anwendungen & Verwendung

Beschreibung

Die 5,5-Diethylbarbitursäure bildet farb- und geruchlose Blättchen mit schwach bitterem Geschmack. Die Darstellung nach der obigen Vorschrift gelang erstmals 1906 den deutschen Chemikern Joseph Freiherr von Mehring, Emil Fischer und Alfred Dilthey. Das Pr

Beschreibung

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.

Verwenden

Prototype of the barbiturate hypnotics.