5-nitro-2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione

Modify Date: 2025-08-26 11:16:47

5-nitro-2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione Structure
5-nitro-2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione structure
 Common Name 5-nitro-2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione
CAS Number 115398-83-9 Molecular Weight 495.52900
Density 1.42g/cm3 Boiling Point 702.6ºC at 760mmHg
Molecular Formula C28H25N5O4 Melting Point N/A
MSDS N/A Flash Point 378.7ºC

 Names

Name 5-nitro-2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione

 Chemical & Physical Properties

Density 1.42g/cm3
Boiling Point 702.6ºC at 760mmHg
Molecular Formula C28H25N5O4
Molecular Weight 495.52900
Flash Point 378.7ºC
Exact Mass 495.19100
PSA 104.26000
LogP 4.97680
Vapour Pressure 1.38E-19mmHg at 25°C
Index of Refraction 1.726
InChIKey PKWKSKWRSQDLGP-UHFFFAOYSA-N
SMILES O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1nc2ccccc2n1CN1CCC(c2ccccc2)CC1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NR3398870
CHEMICAL NAME :
1H-Isoindole-1,3(2H)-dione, 5-nitro-2-((1-((4-phenyl-1-piperdinyl)methyl)-1H-benz imidazol- 2-yl)methyl)-
CAS REGISTRY NUMBER :
115398-83-9
LAST UPDATED :
199112
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C28-H25-N5-O4
MOLECULAR WEIGHT :
495.58

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
INDRBA Indian Drugs. (Indian Drugs Manufacturers' Assoc., 102B, Poonam Chambers, Dr. A. B. Rd., Worli, Bombay 400 018, India) V.1- 1963- Volume(issue)/page/year: 25,229,1988
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Chemsrc provides CAS#:115398-83-9 MSDS, density, melting point, boiling point, structure, etc. Its name is 5-nitro-2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione>> amp version: 5-nitro-2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione

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