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CAS Number: 16792-45-3
ethyl 6-nitro-1H-indole-2-carboxylate

Structure

 ethyl 6-nitro-1H-indole-2-carboxylate
Name: ethyl 6-nitro-1H-indole-2-carboxylate
Synonyms:
General Information
Product Number: 16792453

CAS Registry Number 16792-45-3
Name:
1H-?Indole-?2-?carboxylic acid, 6-?nitro-?, ethyl ester
Indole-2-carboxylic acid, 6-nitro-, ethyl ester (6CI,8CI)
6-Nitro-1H-indole-2-carboxylic acid ethyl ester
Ethyl 6-nitro-1H-indole-2-carboxylate
Ethyl 6-nitroindol-2-carboxylate

 

Chemical Formula: C11H10N2O4
Exact Mass: 234.06
Molecular Weight: 234.21
m/z: 234.06 (100.0%), 235.07 (12.2%), 236.07 (1.5%)

 

InChI:InChI=1S/C11H10N2O4/c1-2-17-11(14)10-5-7-3-4-8(13(15)16)6-9(7)12-10/h3-6,12H,2H2,1H3

InChI Key:SOMZLSPJSSDTAP-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1=CC2=C(N1)C=C(C=C2)[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Melting Point 194-196 °C   (3)IC
Melting Point 194-196 °C Solv: ethyl acetate (141-78-6) (4)CAS
Melting Point 145-147 °C   (1)CAS

Specification

98%
References
  1. (1) Sudhakara, A.; Synthetic Communications 2009, V39(14), P2506-2515 CAPLUS
  2. (3) Scriven, Eric F. V.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1979, (1), P53-9 CAPLUS
  3. (4) Narayana, B.; Bioorganic & Medicinal Chemistry 2005, V13(15), P4638-4644 CAPLUS
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