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CAS Number: 16732-57-3
ethyl 5-nitro-1H-indole-2-carboxylate

Structure

ethyl 5-nitro-1H-indole-2-carboxylate
Name: ethyl 5-nitro-1H-indole-2-carboxylate
Synonyms:
General Information
Product Number: 16732573
CAS Registry Number: 16732-57-3
Name:
        1H-​Indole-​2-​carboxylic acid, 5-​nitro-​, ethyl ester
        Indole-​2-​carboxylic acid, 5-​nitro-​, ethyl ester (8CI); 2-​Ethoxycarbonyl-​5-​nitroindole; 5-​Nitro-​1H-​indole-​2-​carboxylic acid ethyl ester; 5-​Nitroindole-​2-​carboxylic acid ethyl ester; Ethyl 5-​nitro-​1H-​indole-​2-​carboxylate; Ethyl 5-​nitroindole-​2-​carboxylate; NSC 131897 
 
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%)
Elemental Analysis: C, 56.41; H, 4.30; N, 11.96; O, 27.33
 
InChI: InChI=1S/C11H10N2O4/c1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10/h3-6,12H,2H2,1H3
InChIKey: DVFJMQCNICEPAI-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC2=C(N1)C=CC(=C2)[N+](=O)[O-]
 
Thermal Properties Value Condition Note
Melting Point 224-225 °C   (3)IC
Melting Point 219-222 °C Solv: ethyl acetate (141-78-6) (4)CAS
Melting Point 142-144 °C   (1)CAS
Melting Point See full text   (5)CAS
 

Specification

98%

References
  1. (1) Sudhakara, A.; Synthetic Communications 2009, V39(14), P2506-2515 CAPLUS
  2. (2) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  3. (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
  4. (4) Narayana, B.; Bioorganic & Medicinal Chemistry 2005, V13(15), P4638-4644 CAPLUS
  5. (5) Cavallini, G.; Farmaco, Edizione Scientifica 1958, V13, P105-12 CAPLUS
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