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CAS Number: 20870-78-4
5-bromoindolin-2-one

Structure

5-bromoindolin-2-one
Name: 5-bromoindolin-2-one
Synonyms:
General Information
Product Number: 20870784

CAS Registry Number 20870-78-4
Name:
2H-?Indol-?2-?one, 5-?bromo-?1,?3-?dihydro-
2-Indolinone, 5-bromo- (8CI)
Oxindole, 5-bromo- (6CI)
5-Bromo-1,3-dihydro-2H-indol-2-one
5-Bromo-1,3-dihydroindol-2-one
5-Bromo-2,3-dihydroindol-2-one

 

Chemical Formula: C8H6BrNO
Exact Mass: 210.96
Molecular Weight: 212.04
m/z: 210.96 (100.0%), 212.96 (97.3%), 213.96 (8.8%), 211.97 (8.8%)

 

InChI:InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)

InChI Key:VIMNAEVMZXIKFL-UHFFFAOYSA-N

Canonical SMILES:C1C2=C(C=CC(=C2)Br)NC1=O

 

Thermal Properties Value Condition Note
Melting Point 220-221 °C   (6)CAS
Melting Point 218-220 °C   (7)CAS
Melting Point 216-218 °C Solv: ethanol (64-17-5) (3)CAS
Melting Point 215-217 °C   (1)CAS
Melting Point 150 °C   (4)CAS
Melting Point See full text   (8)CAS

Specification

98%

References
  1. (1) Xie, Jinwen; Journal of Combinatorial Chemistry 2007, V9(4), P566-568 CAPLUS
  2. (3) Dandia, A.; Ultrasonics Sonochemistry 2011, V18(5), P1143-1147 CAPLUS
  3. (4) Andreani, Aldo; Journal of Medicinal Chemistry 2008, V51(15), P4563-4570 CAPLUS
  4. (6) Sumpter, Ward C.; Journal of the American Chemical Society 1945, V67, P1656-8 CAPLUS
  5. (7) Wright, William B., Jr.; Journal of the American Chemical Society 1956, V78, P221-4 CAPLUS
  6. (8) Wilk, Bogdan K.; Organic Preparations and Procedures International 2005, V37(3), P283-285 CAPLUS
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