Benzoyleneurea

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Names

[ CAS No. ]:
86-96-4

[ Name ]:
Benzoyleneurea

[Synonym ]:
1H,3H-quinazoline-2,4-dione
2-keto-4-quinazolinone
1H-quinazoline-2,4-dione
quinazolinedione
Quinazoline-2,4-dione
benzouracil
4-Dihydroxy quinazoline
2,4-dioxo-1,2,3,4-tetrahydroquinazoline
quinazolin-2,4(1H,3H)-dione
2,4-quinazolinediol
Quinazolin-2,4-dione
2,4(1H,3H)-Quinazolinedione
Chinazolin-2,4(1H,3H)-dion
ghko
2,4-quinazolinedione
2,4(1H,3H)-Quinaozinedione
EINECS 201-712-6
2,4-DIHYDROXYQUINAZOLINE
benzoylene urea
quinazoline-2,4-diol
MFCD00006699
quinazoline-2,4(1H,3H)-dione

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
491.9ºC at 760 mmHg

[ Melting Point ]:
300 °C(lit.)

[ Molecular Formula ]:
C8H6N2O2

[ Molecular Weight ]:
162.145

[ Exact Mass ]:
162.042923

[ PSA ]:
65.72000

[ LogP ]:
0.55

[ Index of Refraction ]:
1.587

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VA1390000
CHEMICAL NAME :
2,4(1H,3H)-Quinazolinedione
CAS REGISTRY NUMBER :
86-96-4
LAST UPDATED :
199112
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H6-N2-O2
MOLECULAR WEIGHT :
162.16
WISWESSER LINE NOTATION :
T66 BMVMVJ

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 :
1200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CHTPBA Chimica Therapeutica. (Paris, France) V.1-8, 1965-73. For publisher information, see EJMCA5. Volume(issue)/page/year: 3,100,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,1204,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1447 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,1204,1962 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
17400 mg/kg
SEX/DURATION :
male 8 day(s) pre-mating female 21 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
REFERENCE :
MPHEAE Medicina et Pharmacologia Experimentalis. (Basel, Switzerland) V.12-17, 1965-67. For publisher information, see PHMGBN. Volume(issue)/page/year: 15,7,1966

Safety Information

[ Safety Phrases ]:
S24/25-S22

[ WGK Germany ]:
2

[ RTECS ]:
VA1390000

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Potassium cyanate
  • Anthranilic acid
  • Sodium cyanate
  • Urea
  • carbon monoxide
  • 2-NITROBENZAMIDE
  • Carbon dioxide
  • aminobenzonitrile
  • Methyl 2-bromobenzoate
  • isatin

DownStream

  • 3-Methyl-2,4(1H, 3H)-quinazolinedione
  • 2,4(1H,3H)-Quinazolinedione,1-methyl-
  • 2-Chloroquinazolin-4-amine
  • 6-nitroquinazoline-2,4-diol
  • 2,4-Dibromoquinazoline
  • Ammonia
  • Water
  • aminobenzonitrile
  • 4(3H)-Quinazolinone,2-chloro-

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • N-allyl-2-(2-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide
  • N-(2-chlorobenzyl)-2-(2-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide
  • 2-(5-methoxy-4-oxo-2-((4-phenylpiperazin-1-yl)methyl)pyridin-1(4H)-yl)-N-(2-methoxyphenyl)acetamide
  • N-(4-ethylphenyl)-2-(2-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide
  • N-(3-acetamidophenyl)-2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1(6H)-yl)acetamide
  • N-(3-chlorophenyl)-2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1(6H)-yl)acetamide
  • 3-Methyl-5-(1-methylethyl)-N-4-pyridinyl-4-isoxazolecarboxamide
  • N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-[(2-methylprop-2-en-1-yl)oxy]-1-benzofuran-3-carboxamide
  • 5-(benzyloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-benzofuran-3-carboxamide
  • N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran-3-carboxamide
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