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CAS Number: 18813-71-3
6-bromo-1-methyl-9H-pyrido[3,4-b]indole

Structure

6-bromo-1-methyl-9H-pyrido[3,4-b]indole
Name: 6-bromo-1-methyl-9H-pyrido[3,4-b]indole
Synonyms:
General Information
Product Number: 18813713

CAS Registry Number 18813-71-3
Name:
9H-​Pyrido[3,​4-​b]​indole, 6-​bromo-​1-​methyl-
6-Bromoharmane
NSC 97850

 

Chemical Formula: C12H9BrN2
Exact Mass: 259.99
Molecular Weight: 261.12
m/z: 259.99 (100.0%), 261.99 (97.3%), 261.00 (13.1%), 263.00 (12.8%)

 

InChI:InChI=1S/C12H9BrN2/c1-7-12-9(4-5-14-7)10-6-8(13)2-3-11(10)15-12/h2-6,15H,1H3

InChI Key:MGPZBLVKGVLQIV-UHFFFAOYSA-N

Canonical SMILES:CC1=NC=CC2=C1NC3=C2C=C(C=C3)Br

 

Thermal Properties Value Condition Note
Melting Point 246-247 °C   (5)CAS
Melting Point 238-241 °C   (6)CAS
Melting Point 155-157 °C Solv: dichloromethane (75-09-2) (4)IC

Specification

98%

References
  1. (4) Aiello, Anna; Tetrahedron 1987, V43(24), P5929-32 CAPLUS
  2. (5) Snyder, H. R.; Journal of the American Chemical Society 1948, V70, P222-5 CAPLUS
  3. (6) Lomakin, A. N.; Zhurnal Obshchei Khimii 1968, V38(3), P675-6 CAPLUS
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