52-31-3

Basic information
1. Product Name: CYCLOBARBITAL
2. Synonyms: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-5-ethyl-;5-(1-Cyclohexen-1-yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione;5-(1-cyclohexen-1-yl)-5-ethyl-barbituricaci;5-(1-Cyclohexenyl)-5-ethylbarbituric acid;5-(1-cyclohexenyl)-5-ethylbarbituricacid;5-Ethyl-5-cyclohexenylbarbituric acid;5-ethyl-5-cyclohexenylbarbituricacid;Adorm
3. CAS NO:52-31-3
4. Molecular Formula: C₁₂H₁₆N₂O₃
5. Molecular Weight: 236.27
6. EINECS: 200-138-3
7. Product Categories: Amines;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals
8. Mol File: 52-31-3.mol
9. Article Data: 5
Chemical Properties
1. Melting Point: 171-174°
2. Boiling Point: 378.73°C (rough estimate)
3. Flash Point: °C
4. Appearance: /
5. Density: 1.1623 (rough estimate)
6. Refractive Index: 1.5460 (estimate)
7. Storage Temp.: N/A
8. Solubility: N/A
9. PKA: 8.03±0.10(Predicted)
10. Water Solubility: 8.27g/L(25 oC)
11. CAS DataBase Reference: CYCLOBARBITAL(CAS DataBase Reference)
12. NIST Chemistry Reference: CYCLOBARBITAL(52-31-3)
13. EPA Substance Registry System: CYCLOBARBITAL(52-31-3)
Safety Data
1. Hazard Codes: N/A
2. Statements: N/A
3. Safety Statements: N/A
4. RIDADR: 3249
5. WGK Germany:
6. RTECS:
7. HazardClass: 6.1(b)
8. PackingGroup: III
9. Hazardous Substances Data: 52-31-3(Hazardous Substances Data)

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52-31-3 Usage

Originator

Cyclobarbital,Bayer

Uses

Cyclobarbital has been used as an anesthetic and sedative. Controlled substance (depressant).

Manufacturing Process

772.0 g of δ-1,2-cyclohexenylcyanacetic acid ethyl ester are introduced into astirred and ice cooled solution of 92.0 g of sodium in 1500 ml of absolutealcohol. The sodium δ-1,2-cyclohexenylcyanacetic acid ester formed is thengradually treated without ice cooling with 750.0 g of ethyl iodide. The reactionmixture become warm, sodium iodide separates out and the whole is neutralafter a short time. The sodium iodide is filtered off, the filtrate freed fromalcohol by distillation, the residues taken up in water, siphoned off, dried overcalcium chloride and distilled in vacuum, yields δ-1,2-cyclohexenylethylcyanacetic acid ethyl ester, boil point 125°C. 72.0 g ofsodium are dissolved in 1086.0 g of absolute alcohol and boiled for 3.75 hwith 285.0 g of guanidine sulfate, then 221.0 g of δ-1,2-cyclohexenylethylcyanacetic acid ester are added and boiling is continued for afurther 12 h. The residue remaining after distilling off the alcohol is boiledwith 10 times its weight of dilute sulfuric acid and then δ-1,2-cyclohexenylethylbarbituric acid which separates out is recrystallized from hotwater, melting point 170°C

Brand name

Phanodorn (Sterling Winthrop).

Therapeutic Function

Hypnotic

Safety Profile

Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. Human systemic effects by ingestion: pulmonary consolidation. Used as a central nervous system depressant, hypnotic, and sedative. When heated to decomposition it emits toxic fumes of NOx. See also BARBITURATES.

Check Digit Verification of cas no

The CAS Registry Mumber 52-31-3 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 5 and 2 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 52-31:
(4*5)+(3*2)+(2*3)+(1*1)=33
33 % 10 = 3
So 52-31-3 is a valid CAS Registry Number.

InChI:InChI=1S/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17)

52-31-3

Basic information

Chemical Properties

Safety Data