3a,6a-Diphenylglycouril

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Names

[ CAS No. ]:
5157-15-3

[ Name ]:
3a,6a-Diphenylglycouril

[Synonym ]:
3a,6a-Diphenyloctahydroimidazo[4,5-d]imidazole-2,5-dione
3A,6A-DIPHENYLGLYCOLURIL

Chemical & Physical Properties

[ Density]:
1.35 g/cm3

[ Boiling Point ]:
677.1ºC at 760mmHg

[ Melting Point ]:
>300ºC

[ Molecular Formula ]:
C16H14N4O2

[ Molecular Weight ]:
294.30800

[ Flash Point ]:
277.6ºC

[ Exact Mass ]:
294.11200

[ PSA ]:
82.26000

[ LogP ]:
2.63320

[ Index of Refraction ]:
1.643

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MD1100000
CHEMICAL NAME :
Glycoluril, 3a,6a-diphenyl-
CAS REGISTRY NUMBER :
5157-15-3
BEILSTEIN REFERENCE NO. :
0296281
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C16-H14-N4-O2
MOLECULAR WEIGHT :
294.34
WISWESSER LINE NOTATION :
T55 BMVM FMVMTJ AR& ER

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 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: 93,287,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02415

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzil
  • Urea
  • Benzoin
  • Formic Acid
  • benzene
  • [(carbamoylamino)-phenylmethyl]urea
  • 1,1-DIMETHYLUREA

DownStream

  • 1,3,4,6-Tetrachloro-3a,6a-diphenylglycouril
  • 4,5-DIPHENYLIMIDAZOLIN-2-ONE
  • 2,6-diethoxy-4,8-diphenyl-1,3,5,7-tetrazocine

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

  • 1,3,4,6-Tetrachloro-3a,6a-diphenylglycouril
  • 3a,6a-dimethyl-1,3,4,6-tetrahydrothieno[3,4-c]thiophene
  • 3a,6a-bis(4-methoxyphenyl)-tetrahydroimidazo[4,5-d]imidazole-2,5-(1H,3H)-dione
  • 3a,6a-dimethyl-2,5-dimethylidene-1,3,4,6-tetrahydropentalene
  • 3a,6a-dihydro-5-(phenylmethyl)-3-(trifluoromethyl)pyrrolo[3,4-c]pyrazole-4,6(3H,5H)-dione
  • 3a,6a-dimethyl-1,2,3,4,5,6-hexahydropyrrolo[3,4-c]pyrrole
  • 5-ethoxy-N-(2-ethoxyphenyl)-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide
  • N-(3-acetylphenyl)-5-ethoxy-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide
  • 5-ethoxy-1-methyl-4-oxo-N-(4-phenoxyphenyl)-1,4-dihydropyridine-2-carboxamide
  • N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide
  • N-(3,5-dimethylphenyl)-5-ethoxy-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide
  • N-(3-chloro-4-methylphenyl)-5-ethoxy-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide
  • 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl)-5-((4-fluorobenzyl)oxy)pyridin-4(1H)-one
  • (E)-3-(2-chlorophenyl)-N-(2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)acrylamide
  • 4-benzyl-N-(2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)benzamide
  • N-(2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4-(N-methyl-N-phenylsulfamoyl)benzamide
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