Barbituric acid

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Names

[ CAS No. ]:
67-52-7

[ Name ]:
Barbituric acid

[Synonym ]:
Pyrimidinetriol
Hydrouracil, 6-hydroxy-
Barbitursure
Balonylurea acid
T6VMVMV FHJ
Barbituric acid
N,N'-MALONYLUREA
barbituric
2,4,6-Trioxohexahydropyrimidine
Malonylurea
Pyrimidin-2,4,6(1H,3H,5H)-trion
2,4,6-Pyrimidinetrione
pyrimidine-2,4,6-trione
2,4,6(1H,3H,5H)-Pyrimidinetrione
ARBIBTONE ACID
4,6-Dihydroxy-2(5H)-pyrimidinone
2,4,6-Trihydroxypyrimidine
6-HYDROXYURACIL
EINECS 200-658-0
2(5H)-Pyrimidinone, 4,6-dihydroxy-
pyrimidine-2,4,6(1H,3H,5H)-trione
MFCD00006666
BarbituricAcidGr

Chemical & Physical Properties

[ Density]:
1.8±0.1 g/cm3

[ Boiling Point ]:
372.7±25.0 °C at 760 mmHg

[ Melting Point ]:
248-252 °C (dec.)(lit.)

[ Molecular Formula ]:
C4H4N2O3

[ Molecular Weight ]:
128.086

[ Flash Point ]:
179.2±23.2 °C

[ Exact Mass ]:
128.022186

[ PSA ]:
75.27000

[ LogP ]:
-1.72

[ Vapour Pressure ]:
0.0±1.9 mmHg at 25°C

[ Index of Refraction ]:
1.709

[ Water Solubility ]:
142 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CP8000000
CHEMICAL NAME :
Barbituric acid
CAS REGISTRY NUMBER :
67-52-7
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C4-H4-N2-O3
MOLECULAR WEIGHT :
128.10

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,185,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
505 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 106,504,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81718 No. of Facilities: 28 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 700 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81718 No. of Facilities: 79 (estimated) No. of Industries: 4 No. of Occupations: 5 No. of Employees: 3529 (estimated) No. of Female Employees: 1481 (estimated)

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S24/25

[ WGK Germany ]:
1

[ RTECS ]:
CP8000000

[ HS Code ]:
2933520000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Urea
  • Diethyl malonate
  • 4,6-Dihydroxy-2-mercaptopyrimidine
  • Malonic acid
  • 6-Aminouracil
  • Benzaldehyde
  • Propanedioic acid,1,3-dibutyl ester
  • 5,5-Dibromo-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5,5-dichloro-1,3-diazinane-2,4,6-trione

DownStream

  • 5-[(2-nitrophenyl)hydrazinylidene]-1,3-diazinane-2,4,6-trione
  • 5-[bis(methylsulfanyl)methylidene]-1,3-diazinane-2,4,6-trione
  • 2,4,6-Trichloropyrimidine
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-heptyl-
  • EM20-25
  • 1,3,5,5-tetrakis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
  • 5-Nitrobarbituric acid
  • 2,4,6-Trichloropyrimidine-5-carbaldehyde
  • Dihydrouracil
  • 6-Chlorouracil

Customs

[ HS Code ]: 2933520000

[ Summary ]:
HS: 2933520000. pyrimidine-2,4,6(1h,3h,5h)-trione. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tarrif:6.5%. general tariff:20.0%

Related Compounds

  • Barbituric acid sodium
  • Barbituric acid sodium
  • 5-hexyl-barbituric acid
  • 5-Benzoylbarbituric acid
  • 5-formyl-barbituric acid
  • 1-heptyl-barbituric acid
  • Ethyl (2-amino-6-methoxypyridin-3-yl)glycinate
  • 2-Chloro-5-(2,4-dichlorophenyl)pyrazine
  • [5-(2,4-Dichlorophenoxy)-4-hydroxy-6-methylpyrimidin-2-yl]cyanamide
  • 7-(2,3-Dimethoxyphenyl)-2-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
  • 3-{[(4-{[(5-Hydroxy-1,2,4-triazin-3-yl)sulfanyl]methyl}phenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol
  • 3-((2-Fluorobenzyl)thio)-1,2,4-triazin-5(4H)-one
  • 2-[[5-(2-Hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
  • N,N-diethyl-2-{[5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetamide
  • N-cyclohexyl-2-{[5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl]sulfanyl}acetamide
  • 2-((3-chloro-4-methoxyphenyl)amino)quinazolin-4(3H)-one
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