3-(CYANOACETYL)-2-METHYLINDOLE

Modify Date: 2024-01-08 12:39:51

3-(CYANOACETYL)-2-METHYLINDOLE Structure
3-(CYANOACETYL)-2-METHYLINDOLE structure
Common Name 3-(CYANOACETYL)-2-METHYLINDOLE
CAS Number 76397-72-3 Molecular Weight 198.22100
Density 1.242 g/cm3 Boiling Point 445.5ºC at 760 mmHg
Molecular Formula C12H10N2O Melting Point N/A
MSDS N/A Flash Point 223.2ºC

 Names

Name 3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.242 g/cm3
Boiling Point 445.5ºC at 760 mmHg
Molecular Formula C12H10N2O
Molecular Weight 198.22100
Flash Point 223.2ºC
Exact Mass 198.07900
PSA 56.65000
LogP 2.57268
Index of Refraction 1.646
InChIKey WUECABRAWUKURJ-UHFFFAOYSA-N
SMILES Cc1[nH]c2ccccc2c1C(=O)CC#N

 Safety Information

Hazard Codes Xi: Irritant;

 Synthetic Route

~92%

3-(CYANOACETYL)-2-METHYLINDOLE Structure

3-(CYANOACETYL)...

CAS#:76397-72-3

Literature: Slaett, Johnny; Romero, Ivan; Bergman, Jan Synthesis, 2004 , # 16 p. 2760 - 2765

~82%

3-(CYANOACETYL)-2-METHYLINDOLE Structure

3-(CYANOACETYL)...

CAS#:76397-72-3

Literature: Kreher, Richard; Wagner, Paul-Heinz Chemische Berichte, 1980 , vol. 113, # 11 p. 3675 - 3677

~%

3-(CYANOACETYL)-2-METHYLINDOLE Structure

3-(CYANOACETYL)...

CAS#:76397-72-3

Literature: Chemische Berichte, , vol. 56, p. 2317 Gazzetta Chimica Italiana, , vol. 59, p. 113

 Synonyms

3-(2-methyl-indol-3-yl)-3-oxo-propionitrile
3-(2-methylindol-3-yl)-3-oxopropanenitrile
3-(cyanoacetyl)indole
2-methyl-3-cyanoacetylindole
3-(cyanoacetyl)-2-methyl-1H-indole
3-(CYANOACETYL)-2-METHYLINDOLE
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