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CAS Number: 53995-82-7
ethyl 4,6-dichloro-1H-indole-2-carboxylate

Structure

ethyl 4,6-dichloro-1H-indole-2-carboxylate
Name: ethyl 4,6-dichloro-1H-indole-2-carboxylate
Synonyms:
General Information
Product Number: 53995827
CAS Registry Number: 53995-82-7
Name:
1H-​Indole-​2-​carboxylic acid, 4,​6-​dichloro-​, ethyl ester
Indole-​2-​carboxylic acid, 4,​6-​dichloro-​, ethyl ester (6CI); 4,​6-​Dichloro-​1H-​indole-​2-​carboxylic acid ethyl ester; Ethyl 4,​6-​dichloroindole-​2-​carboxylate 
 
Chemical Formula: C11H9Cl2NO2
Exact Mass: 257.00
Molecular Weight: 258.10
m/z: 257.00 (100.0%), 259.00 (64.0%), 258.00 (12.3%), 261.00 (10.9%), 260.00 (8.0%), 262.00 (1.2%), 259.01 (1.1%)
Elemental Analysis: C, 51.19; H, 3.51; Cl, 27.47; N, 5.43; O, 12.40
 
InChI: InChI=1S/C11H9Cl2NO2/c1-2-16-11(15)10-5-7-8(13)3-6(12)4-9(7)14-10/h3-5,14H,2H2,1H3
InChIKey: YLAHLUPONQVSOT-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC2=C(C=C(C=C2N1)Cl)Cl
 
Thermal Properties Value Condition Note
Melting Point 185-187 °C Solv: cyclohexane (110-82-7) (1)IC
 

Specification

98%

References
  1. (1) Ishii, Hisashi; Chemical & Pharmaceutical Bulletin 1974, V22(9), P1981-9 CAPLUS
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