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52-31-3
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Basic Information
CAS No.: 52-31-3
Name: CYCLOBARBITAL
Molecular Structure:
Molecular Structure of 52-31-3 (CYCLOBARBITAL)
Formula: C12H16 N2 O3
Molecular Weight: 236.271
Synonyms: Barbituricacid, 5-(1-cyclohexen-1-yl)-5-ethyl- (8CI);5-(1-Cyclohexen-1-yl)-5-ethylbarbituric acid;5-(1-Cyclohexenyl)-5-ethylbarbituric acid; 5-Ethyl-5-(1-cyclohexenyl)barbituricacid; Adorm; Amnosed; Cavonyl; Cyclobarbital; Cyclobarbitone; Cyclodorm;Cyclohexal; Ethylhexabital; Fanodorm; Fanodormo; Hexadorm; Hexemal; Hypnoval;Irifan; Namuron; Palinum; Phanodorm; Phanotal; Philodorm; Praelumin; Pralumin;Pro-Sonil; Sonaform; Sonoform; Tetrahydrophenobarbital
Density: 1.209g/cm3
Melting Point: 171-174°
Boiling Point: °Cat760mmHg
Flash Point: °C
Solubility: 8.27g/L(25 oC)
Hazard Symbols: See Barbiturate.
Safety: 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.
PSA: 75.27000
LogP: 1.90680
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Chemistry

IUPAC  Name: 5-Cyclohexen-1-yl-5-ethyl-1,3-diazinane-2,4,6-trione 
Molecular Formula: C12H16N2O3
Molecular Weight: 236.30
Freely Rotating Bonds: 2
Polar Surface Area: 57.69 Å2
Index of Refraction: 1.527
Molar Refractivity: 60.08 cm3
Molar Volume: 195.4 cm3
Polarizability: 23.81 ×10-24 cm3
Surface Tension: 44.1 dyne/cm
Density: 1.209 g/cm3 
The Cas Register Number of  Tetrahydrophenobarbital is 52-31-3.The chemical synonyms of  Tetrahydrophenobarbital (CAS NO.52-31-3) are 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(1-cyclohexen-1-yl)-5-ethyl- ;  5-(Cyclohex-1-en-1-yl)-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione ; 5-Cyclohex-1-en-1-yl-5-ethylpyrimidine-2,4,6(1H,3H,5H)-trione ; 5-Ethyl-5-(1-cyclohexenyl)barbituric Acid ; Cyclohexal and Fanodorm .The molecular structure of  Tetrahydrophenobarbital (CAS NO.52-31-3) is.

Uses

  Tetrahydrophenobarbital (CAS NO.52-31-3) is used as organic intermediate.

Toxicity Data With Reference

1.    

orl-wmn TDLo:2 g/kg:PUL

     AIMEAS    Annals of Internal Medicine. 37 (1952),290.
2.    

orl-rat LDLo:300 mg/kg

     AEPPAE    Naunyn-Schmiedeberg’s Archiv fuer Experimentelle Pathologie und Pharmakologie. 182 (1936),348.
3.    

ipr-rat LD50:290 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 17 (1967),242.
4.    

scu-rat LD50:210 mg/kg

     AEPPAE    Naunyn-Schmiedeberg’s Archiv fuer Experimentelle Pathologie und Pharmakologie. 152 (1930),341.
5.    

orl-mus LD50:840 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 17 (1967),242.
6.    

ipr-mus LD50:350 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 17 (1967),242.
7.    

scu-mus LDLo:300 mg/kg

     HDTU**    Pharmakologische Prufung von Analgetika, Gunter Herrlen Dissertation .(Pharmakologischen Institut der Universitat Tubingen,Germany.: 1933).
8.    

orl-dog LDLo:200 mg/kg

     HBAMAK    “Abdernalden’s Handbuch der Biologischen Arbeitsmethoden.“ 4 (1935),1289.
9.    

scu-dog LDLo:100 mg/kg

     HBAMAK    “Abdernalden’s Handbuch der Biologischen Arbeitsmethoden.“ 4 (1935),1289.
10.    

 

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.
RIDADR: 3249
HazardClass: 6.1(b)
PackingGroup: III