Bromisoval

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Names

[ CAS No. ]:
496-67-3

[ Name ]:
Bromisoval

[Synonym ]:
Alural
EINECS 207-825-7
Bromaral
Bromural
Alluval
Bromoxil
1-(2-Bromoisovaleryl)urea
Abroval
Bromisoval
bromisovalum
Bromovalerylurea
B.V.U.
Bromoval
Bromyl
MFCD00047873
2-Bromo-3-methylbutyrylurea
bromvalerylurea

Chemical & Physical Properties

[ Density]:
1.504g/cm3

[ Melting Point ]:
152 °C

[ Molecular Formula ]:
C₆H₁₁BrN₂O₂

[ Molecular Weight ]:
223.06800

[ Exact Mass ]:
222.00000

[ PSA ]:
72.19000

[ LogP ]:
1.69200

[ Index of Refraction ]:
1.514

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YS3150000

CHEMICAL NAME :: Urea, (2-bromo-3-methylbutyryl)-

CAS REGISTRY NUMBER :: 496-67-3

BEILSTEIN REFERENCE NO. :: 1773255

LAST UPDATED :: 199806

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C6-H11-Br-N2-O2

MOLECULAR WEIGHT :: 223.10

WISWESSER LINE NOTATION :: ZVMVYEY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Behavioral - coma Gastrointestinal - nausea or vomiting

REFERENCE :: BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 1,1238,1955

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human

DOSE/DURATION :: 57 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 7,513,1960

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

REFERENCE :: FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 7,262,1948

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1340 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,1213,1995

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 660 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,1213,1995

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 450 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,738,1982

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1 gm/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 :: Rectal

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 1400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 7,513,1960

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 900 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

Safety Information

[ Safety Phrases ]:
S24/25

[ RTECS ]:
YS3150000

[ HS Code ]:
2924210090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-Bromo-3-methylbutanoyl bromide
N-(α-bromo-isovaleryl)-O-methyl-isourea
Urea
2-bromo-3-methylbutyryl chloride
Hydrochloric acid

DownStream

ISOVALERYLUREA
2-Imino-5-isopropyl-4-oxazolidinone

Customs

[ HS Code ]: 2924210090

[ Summary ]:
2924210090 other ureines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

bromisoval
(-)-bromisoval
(R)-bromisoval
Methyl 6-(3-iodophenyl)pyrimidine-4-carboxylate
Methyl 6-(pyridin-4-yl)pyrimidine-4-carboxylate
Methyl 6-(methoxymethyl)pyrimidine-4-carboxylate
Methyl 6-(5-methyl-1,2-oxazol-4-yl)pyrimidine-4-carboxylate
Methyl 6-(5-methylpyrazin-2-yl)pyrimidine-4-carboxylate
Methyl 6-{bicyclo[2.2.1]hept-5-en-2-yl}pyrimidine-4-carboxylate
Methyl 6-benzylpyrimidine-4-carboxylate
Methyl 6-(pyridin-2-yl)pyrimidine-4-carboxylate
Methyl 6-(pyrazin-2-yl)pyrimidine-4-carboxylate
Methyl 6-(oxolan-2-yl)pyrimidine-4-carboxylate

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