1,3-Butanedione, 1-(2-phenyl-1H-indol-3-yl)-

Modify Date: 2025-08-25 18:15:53

1,3-Butanedione, 1-(2-phenyl-1H-indol-3-yl)- Structure
1,3-Butanedione, 1-(2-phenyl-1H-indol-3-yl)- structure
 Common Name 1,3-Butanedione, 1-(2-phenyl-1H-indol-3-yl)-
CAS Number 62367-68-4 Molecular Weight 277.31700
Density 1.211g/cm3 Boiling Point 513.6ºC at 760 mmHg
Molecular Formula C18H15NO2 Melting Point N/A
MSDS N/A Flash Point 259.5ºC

 Names

Name 1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione

 Chemical & Physical Properties

Density 1.211g/cm3
Boiling Point 513.6ºC at 760 mmHg
Molecular Formula C18H15NO2
Molecular Weight 277.31700
Flash Point 259.5ºC
Exact Mass 277.11000
PSA 49.93000
LogP 3.99670
Index of Refraction 1.64
InChIKey WSVUDCGHZTZRRU-UHFFFAOYSA-N
SMILES CC(=O)CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK3540330
CHEMICAL NAME :
1,3-Butanedione, 1-(2-phenyl-1H-indol-3-yl)-
CAS REGISTRY NUMBER :
62367-68-4
BEILSTEIN REFERENCE NO. :
1478242
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H15-N-O2
MOLECULAR WEIGHT :
277.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 11,471,1976
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Chemsrc provides CAS#:62367-68-4 MSDS, density, melting point, boiling point, structure, etc. Its name is 1,3-Butanedione, 1-(2-phenyl-1H-indol-3-yl)->> amp version: 1,3-Butanedione, 1-(2-phenyl-1H-indol-3-yl)-

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