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CAS Number: 91348-45-7
ethyl 3-bromo-1H-indole-2-carboxylate

Structure

ethyl 3-bromo-1H-indole-2-carboxylate
Name: ethyl 3-bromo-1H-indole-2-carboxylate
Synonyms:
General Information
Product Number: 91348457
CAS Registry Number: 91348-45-7
Name:
1H-​Indole-​2-​carboxylic acid, 3-​bromo-​, ethyl ester
Indole-​2-​carboxylic acid, 3-​bromo-​, ethyl ester (6CI,​7CI); 3-​Bromo-​1H-​indole-​2-​carboxylic acid ethyl ester; 3-​Bromo-​2-​carbethoxyindole; Ethyl 3-​Bromo-​1H-​indole-​2-​carboxylate; Ethyl 3-​bromoindole-​2-​carboxylate 
 
Chemical Formula: C11H10BrNO2
Exact Mass: 266.99
Molecular Weight: 268.11
m/z: 266.99 (100.0%), 268.99 (97.7%), 267.99 (12.3%), 269.99 (11.8%), 270.99 (1.1%)
Elemental Analysis: C, 49.28; H, 3.76; Br, 29.80; N, 5.22; O, 11.94
 
InChI: InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3
InChIKey: DRJWEOYWZOGNQU-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(C2=CC=CC=C2N1)Br
 
Thermal Properties Value Condition Note
Melting Point 153-156 °C Solv: ethanol (64-17-5) (1)CAS
Melting Point 152-153 °C   (2)CAS
Melting Point 152 °C   (3)CAS

Specification

98%

References
  1. (1) Barraja, Paola; Tetrahedron 2008, V64(51), P11625-11631 CAPLUS
  2. (2) Gabriel, S.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1923, V56B, P1024-36 CAPLUS
  3. (3) Kunori, Masao; Nippon Kagaku Zasshi 1957, V78, P1798-1800 CAPLUS
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