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
  • Tert-butyl 4-oxo-4-(pyrazin-2-yl)butanoate
  • Tert-butyl 3-(4-(1-methyl-1H-imidazol-4-yl)-2,5-dioxoimidazolidin-4-yl)propanoate
  • 3-(2,5-Dioxo-4-(pyrimidin-5-yl)imidazolidin-4-yl)propanoic acid
  • Tert-butyl 4-oxo-4-(pyrimidin-5-yl)butanoate
  • 1-(4,5-Dichloro-2-methylphenyl)piperazine
  • 3-(4-(1-Methyl-1H-imidazol-4-yl)-2,5-dioxoimidazolidin-4-yl)propanoic acid
  • 1-(5-Bromo-2-iodobenzoyl)azetidine
  • 2-[3-Fluoro-1-(trifluoroacetyl)piperidin-4-yl]acetic acid
  • Tert-butyl 3-fluoro-4-propylpiperidine-1-carboxylate
  • Ethyl 5-(3-hydroxyprop-1-yn-1-yl)thiophene-2-carboxylate
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