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Basic Information
CAS No.: 545-93-7
Name: 5-(2-bromoallyl)-5-isopropylbarbituric acid
Molecular Structure:
Molecular Structure of 545-93-7 (5-(2-bromoallyl)-5-isopropylbarbituric acid)
Formula: C10H13 Br N2 O3
Molecular Weight: 289.129
Synonyms: 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(2-bromo-2-propenyl)-5-(1-methylethyl)- (9CI); Barbituric acid,5-(2-bromoallyl)-5-isopropyl- (8CI); 5-(2-Bromoallyl)-5-isopropylbarbituricacid; 5-(b-Bromoallyl)-5-isopropylbarbituricacid; 5-Isopropyl-5-(2-bromoallyl)barbiturate;5-Isopropyl-5-bromoallylbarbituric acid; Bromoaprobarbital; Ibomal; Kwietal;Noctal; Noctenal; Nostal; Nostral; Propaldon; Propallylonal; Quietal; Quietalum
Density: 1.44g/cm3
Melting Point: 177-179°
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by ingestion, intraperitoneal, and subcutaneous routes. Used as a sedative and hypnotic agent. When heated to decomposition it emits very toxic fumes of NOx and Br−. A controlled drug under 21 CFR 1308.11, which may be habit forming. See also BARBITURATES.
PSA: 82.25000
LogP: 1.84530
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Chemistry

IUPAC Name: 5-(2-Bromoprop-2-enyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Synonyms: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propen-1-yl)-5-(1-methylethyl)- ; 5-(2-Bromoprop-2-en-1-yl)-5-(propan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylethyl)- ; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylethyl)- (9CI)
CAS NO: 545-93-7
Molecular Formula of Quietalum (CAS NO.545-93-7) : C10H13BrN2O3
Molecular Weight of Quietalum (CAS NO.545-93-7) : 289.12582
Molecular Structure of Quietalum (CAS NO.545-93-7) :
EINECS: 208-896-7
Index of Refraction: 1.515
Surface Tension: 40.2 dyne/cm
Density: 1.44 g/cm3

Uses

 Quietalum (CAS NO.545-93-7) is used as pharmaceutical raw materials.

Toxicity Data With Reference

1.    

ipr-rbt LDLo:60 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 44 (1932),325.
2.    

scu-rat LD50:90 mg/kg

     AEPPAE    Naunyn-Schmiedeberg’s Archiv fuer Experimentelle Pathologie und Pharmakologie. 152 (1930),341.
3.    

scu-mus LDLo:100 mg/kg

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

orl-rbt LDLo:225 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 44 (1932),325.
5.    

ipr-rbt LDLo:120 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 44 (1932),325.
6.    

scu-gpg LDLo:80 mg/kg

     HBAMAK    “Abdernalden’s Handbuch der Biologischen Arbeitsmethoden.“ 4 (1935),1289.
7.    

scu-frg LDLo:300 mg/kg

     HBAMAK    “Abdernalden’s Handbuch der Biologischen Arbeitsmethoden.“ 4 (1935),1289.
8.    

orl-mam LDLo:300 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 42 (1931),253.

Safety Profile

Poison by ingestion, intraperitoneal, and subcutaneous routes. Used as a sedative and hypnotic agent. When heated to decomposition it emits very toxic fumes of NOx and Br−. A controlled drug under 21 CFR 1308.11, which may be habit forming. See also BARBITURATES.
RIDADR 3249
HazardClass 6.1(b)
PackingGroup III