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CAS Number: 106103-36-0
6-bromo-5-methoxy-1H-indole

Structure

6-bromo-5-methoxy-1H-indole
Name: 6-bromo-5-methoxy-1H-indole
Synonyms:
General Information
Product Number: 106103360

CAS Registry Number 106103-36-0
Name:
1H-?Indole, 6-?bromo-?5-?methoxy-
6-Bromo-5-methoxyindole

 

Chemical Formula: C9H8BrNO
Exact Mass: 224.98
Molecular Weight: 226.07
m/z: 224.98 (100.0%), 226.98 (97.5%), 225.98 (10.1%), 227.98 (9.6%)

 

InChI:InChI=1S/C9H8BrNO/c1-12-9-4-6-2-3-11-8(6)5-7(9)10/h2-5,11H,1H3

InChI Key:LYRDXFOLYOIABR-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=C2C(=C1)C=CN2)Br

 

Thermal Properties Value Condition Note
Melting Point 127-129 °C Solv: ethanol (64-17-5); water (7732-18-5) (1)CAS
Melting Point 127.0-127.5 °C   (2)IC
Melting Point 120-120.5 °C   (3)IC
Melting Point 112-114 °C Solv: ethyl acetate (141-78-6); hexane (110-54-3) (1)CAS

Specification

98%

References
  1. (1) Yamagishi, Hiroaki; Organic Letters 2008, V10(12), P2369-2372 CAPLUS
  2. (2) Hino, Tohru; Chemical & Pharmaceutical Bulletin 1990, V38(1), P59-64 CAPLUS
  3. (3) Swenton, John S.; Journal of Organic Chemistry 1990, V55(7), P2019-26 CAPLUS
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