5,5-Diallylbarbituric acid

Modify Date: 2024-01-02 18:43:28

5,5-Diallylbarbituric acid Structure
5,5-Diallylbarbituric acid structure
Common Name 5,5-Diallylbarbituric acid
CAS Number 52-43-7 Molecular Weight 208.21400
Density 1.2420 (rough estimate) Boiling Point 347.41°C (rough estimate)
Molecular Formula C10H12N2O3 Melting Point 171-173°
MSDS N/A Flash Point N/A

 Names

Name 5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2420 (rough estimate)
Boiling Point 347.41°C (rough estimate)
Melting Point 171-173°
Molecular Formula C10H12N2O3
Molecular Weight 208.21400
Exact Mass 208.08500
PSA 75.27000
LogP 1.14860
Index of Refraction 1.4830 (estimate)
Storage condition 2-8°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ3325000
CHEMICAL NAME :
Barbituric acid, 5,5-diallyl-
CAS REGISTRY NUMBER :
52-43-7
LAST UPDATED :
199707
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C10-H12-N2-O3
MOLECULAR WEIGHT :
208.24
WISWESSER LINE NOTATION :
T6VMVMV FHJ F2U1 F2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
121 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 8,913,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
110 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 152,341,1930
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
85 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AITDAQ Archiwum Immunologii i Terapii Doswiadczalnej. (Warsaw, Poland) V.1-9, 1953-61. For publisher information, see AITEAT. Volume(issue)/page/year: 7,95,1959
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - excitement
REFERENCE :
HDTU** "Pharmakologische Prufung von Analgetika, Dissertation," Herrlen, G., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1933 Volume(issue)/page/year: -,-,1933
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
218 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 16,2161,1982
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic
REFERENCE :
JPHAA3 Journal of the American Pharmaceutical Association. (Washington, DC) V.1-28, 1912-39; New series: V.1-17, 1961-77. Volume(issue)/page/year: 25,597,1936
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
147 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 13,791,1979 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1400 mg/kg/35D-C
TOXIC EFFECTS :
Liver - other changes Kidney, Ureter, Bladder - other changes Blood - normocytic anemia
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 16,2161,1982 *** REVIEWS *** TOXICOLOGY REVIEW PHREA7 Physiological Reviews. (American Physiological Soc., 9650 Rockville Pike, Bethesda, MD 20814) V.1- 1921- Volume(issue)/page/year: 19,472,1939 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80391 No. of Facilities: 68 (estimated) No. of Industries: 1 No. of Occupations: 6 No. of Employees: 2770 (estimated)

 Safety Information

Hazard Codes T
Risk Phrases 25
Safety Phrases 45
RIDADR UN 2811 6.1/PG 3
WGK Germany 3
RTECS CQ3325000
Packaging Group III

 Synthetic Route

~55%

5,5-Diallylbarbituric acid Structure

5,5-Diallylbarb...

CAS#:52-43-7

Literature: Kotha, Sambasivarao; Deb, Ashoke Chandra Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2008 , vol. 47, # 7 p. 1120 - 1134

~40%

5,5-Diallylbarbituric acid Structure

5,5-Diallylbarb...

CAS#:52-43-7

Literature: Arai; Tamura; Kawai; Nakajima Chemical and Pharmaceutical Bulletin, 1989 , vol. 37, # 11 p. 3117 - 3118

~%

5,5-Diallylbarbituric acid Structure

5,5-Diallylbarb...

CAS#:52-43-7

Literature: Shimo; Wakamatsu Journal of Organic Chemistry, 1959 , vol. 24, p. 19 Yuki Gosei Kagaku Kyokaishi, 1959 , vol. 17, p. 232,236 Chem.Abstr., 1959 , p. 18958

~%

Detail
Literature: Ges. f. chem. Ind. Basel Patent: DE268158 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 11, p. 933

 Synonyms

Allylbarbitural
ALLOBARBITAL
Dormallyl
Diallylbarbituric acid
Allobarbitone
Diallylbarbital
Barballyl
Barbidal
5,5-Diallylbarbituric acid
Diallymal