5-(2-bromoallyl)-5-(1-methylpropyl)-1H,3H,5H-pyrimidine-2,4,6-trione

Modify Date: 2024-01-02 16:32:19

5-(2-bromoallyl)-5-(1-methylpropyl)-1H,3H,5H-pyrimidine-2,4,6-trione Structure
5-(2-bromoallyl)-5-(1-methylpropyl)-1H,3H,5H-pyrimidine-2,4,6-trione structure
Common Name 5-(2-bromoallyl)-5-(1-methylpropyl)-1H,3H,5H-pyrimidine-2,4,6-trione
CAS Number 1142-70-7 Molecular Weight 303.15200
Density 1.395g/cm3 Boiling Point N/A
Molecular Formula C11H15BrN2O3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 5-(2-bromoprop-2-enyl)-5-butan-2-yl-1,3-diazinane-2,4,6-trione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.395g/cm3
Molecular Formula C11H15BrN2O3
Molecular Weight 303.15200
Exact Mass 302.02700
PSA 75.27000
LogP 2.34120
Index of Refraction 1.512

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ0700000
CHEMICAL NAME :
Barbituric acid, 5-(2-bromoallyl)-5-sec-butyl-
CAS REGISTRY NUMBER :
1142-70-7
BEILSTEIN REFERENCE NO. :
0249332
LAST UPDATED :
199612
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C11-H15-Br-N2-O3
MOLECULAR WEIGHT :
303.19
WISWESSER LINE NOTATION :
T6VMVMV FHJ FY2&1 F1YEU1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
65 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 44,325,1932
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
90 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 :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
REDH** J.D. Riedel-E. de Haen A.-G., Laboratory. (Berlin, Ger.) Volume(issue)/page/year: #3850
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
REDH** J.D. Riedel-E. de Haen A.-G., Laboratory. (Berlin, Ger.) Volume(issue)/page/year: #3850
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 41,465,1931
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
160 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
REDH** J.D. Riedel-E. de Haen A.-G., Laboratory. (Berlin, Ger.) Volume(issue)/page/year: #3850
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
70 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
REDH** J.D. Riedel-E. de Haen A.-G., Laboratory. (Berlin, Ger.) Volume(issue)/page/year: #3850
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHREA7 Physiological Reviews. (American Physiological Soc., 9650 Rockville Pike, Bethesda, MD 20814) V.1- 1921- Volume(issue)/page/year: 19,472,1939
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 42,253,1931 *** 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

 Safety Information

HS Code 2933540000

 Synthetic Route

~%

5-(2-bromoallyl)-5-(1-methylpropyl)-1H,3H,5H-pyrimidine-2,4,6-trione Structure

5-(2-bromoallyl...

CAS#:1142-70-7

Literature: Boedeker Patent: US1739662 , 1925 ; Full Text Show Details Riedel-de Haen Patent: DE605567 , 1932 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 21, p. 642 Full Text Show Details Riedel-de Haen Patent: DE575470 , 1924 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 18, p. 2887

 Precursor & DownStream

Precursor  1

DownStream  0

 Customs

HS Code 2933540000
Summary 2933540000 other derivatives of malonylurea (barbituric acid); salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%

 Synonyms

5-(2-bromoallyl)-5-(1-methylpropyl)-1H,3H,5H-pyrimidine-2,4,6-trione
Pernocton
EINECS 214-537-5
5-(2-bromo-2-propenyl)-5-(1-methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
5-(2-bromo-allyl)-5-sec-butyl-pyrimidine-2,4,6-trione
butallyonal
Pernoston
5-(2-Brom-allyl)-5-sec-butyl-barbitursaeure
Butallylonal
Sonbutal
Butylalylonal
BARBITURIC ACID,5-(2-BROMOALLYL)-5-sec-BUTYL
Butyl-bromallyl-barbitursaeure