IcilinAG-3-5

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Names

[ CAS No. ]:
36945-98-9

[ Name ]:
IcilinAG-3-5

[Synonym ]:
MFCD01689072
Icilin
3-(2-Hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydro-2(1H)-pyrimidinone
2(1H)-Pyrimidinone, 3,6-dihydro-1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-
AG-3-5
3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-3,4-dihydropyrimidin-2(1H)-one

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
594.8±50.0 °C at 760 mmHg

[ Melting Point ]:
200-208ºC

[ Molecular Formula ]:
C16H13N3O4

[ Molecular Weight ]:
311.292

[ Flash Point ]:
313.5±30.1 °C

[ Exact Mass ]:
311.090607

[ PSA ]:
98.39000

[ LogP ]:
2.73

[ Vapour Pressure ]:
0.0±1.7 mmHg at 25°C

[ Index of Refraction ]:
1.672

[ Storage condition ]:
-20℃

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW7397500
CHEMICAL NAME :
2(1H)-Pyrimidinone, 3,6-dihydro-1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-
CAS REGISTRY NUMBER :
36945-98-9
BEILSTEIN REFERENCE NO. :
0700310
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C16-H13-N3-O4
MOLECULAR WEIGHT :
311.32

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 :
>1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
700 ug/plate
REFERENCE :
JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 35,110,1983

Safety Information

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
26-36

[ HS Code ]:
2933599090

Customs

[ HS Code ]: 2933599090

[ Summary ]:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 2-(3,5-Dimethylpiperidin-1-yl)ethanamine
  • 1,3,5,7,2,4,6, 8-Tetrazatetraphosphocine, 2,2,4,4,6,6,8,8-octahydro-2,2,4,4,6,6, 8,8-octaphenoxy-
  • N-(3,5-dichlorophenyl)-2-hydroxysuccinimide
  • 2-(3,5-Dichlorophenyl)ethanol
  • 2,3,5,6-tetradeuterio-4-nonylphenol
  • 1,3,5-Triazine,2-chloro-4,6-diphenoxy-
  • 1-(3-Chloro-5-fluorophenyl)cyclopentanecarboxylic acid
  • 3-(2-Chloro-6-methoxyphenyl)-2,2-dimethylpropanoic acid
  • 3-(4-Chloro-2-methoxyphenyl)-2,2-dimethylpropanoic acid
  • 3-(3-Chloro-2-methoxyphenyl)-2,2-dimethylpropanoic acid
  • 1-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-ol
  • 3-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol
  • 1-[(2-Chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-ol
  • 1-[(5-Chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-ol
  • 6-Bromo-7-fluoroimidazo[1,5-a]pyridine
  • 3-Chloro-4-methoxy-5-methylbenzenebutanoic acid
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