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CAS Number: 50720-12-2
3-bromo-5-methoxypyridine

Structure

 3-bromo-5-methoxypyridine
Name: 3-bromo-5-methoxypyridine
Synonyms:
General Information
Product Number: 50720122

CAS Registry Number 50720-12-2
Name:
Pyridine, 3-?bromo-?5-?methoxy-
3-Bromo-5-methoxypyridine
3-Bromo-5-(methyloxy)pyridine
3-Methoxy-5-bromopyridine
5-Bromo-3-methoxypyridine
5-Methoxy-3-bromopyridine

 

Chemical Formula: C6H6BrNO
Exact Mass: 186.96
Molecular Weight: 188.02
m/z: 186.96 (100.0%), 188.96 (97.3%), 189.96 (6.7%), 187.97 (6.6%)

 

InChI:InChI=1S/C14H17N3/c1-11-10-14(17-8-6-15-7-9-17)16-13-5-3-2-4-12(11)13/h2-5,10,15H,6-9H2,1H3

InChI Key:LCRABWZMGNEZJV-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=NC2=CC=CC=C12)N3CCNCC3

 

Thermal Properties Value Condition Note
Melting Point 35.2-36.8 °C   (5)CAS
Melting Point 35-36 °C   (3)CAS
Melting Point 34-35 °C Solv: hexane (110-54-3) (4)IC
Melting Point 33-34 °C   (1)CAS
Melting Point 32-33 °C   (6)CAS
Melting Point 27-29 °C   (2)CAS

Specification

98%
References
  1. (1) Alagille, David; Bioorganic & Medicinal Chemistry 2004, V13(1), P197-209 CAPLUS
  2. (2) Aakeroey, Christer B.; Inorganic Chemistry 2005, V44(14), P4983-4991 CAPLUS
  3. (3) Breteche, Anne; Tetrahedron 2010, V66(25), P4490-4494 CAPLUS
  4. (4) Comins, Daniel L.; Journal of Organic Chemistry 1990, V55(1), P69-73 CAPLUS
  5. (5) Audouze, Karine; Journal of Medicinal Chemistry 2006, V49(11), P3159-3171 CAPLUS
  6. (6) den Hertog, H. J.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1955, V74, P1171-8 CAPLUS
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