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CAS Number: 52805-45-5
3-bromo-4-hydroxy-5-methoxybenzonitrile

Structure

 3-bromo-4-hydroxy-5-methoxybenzonitrile
Name: 3-bromo-4-hydroxy-5-methoxybenzonitrile
Synonyms:
General Information
Product Number: 52805455

CAS Registry Number 52805-45-5
Name:
Benzonitrile, 3-?bromo-?4-?hydroxy-?5-?methoxy-
Vanillonitrile, 5-bromo- (4CI)
3-Bromo-4-hydroxy-5-methoxybenzonitrile

 

Chemical Formula: C8H6BrNO2
Exact Mass: 226.96
Molecular Weight: 228.04
m/z: 226.96 (100.0%), 228.96 (98.0%), 227.96 (9.2%), 229.96 (8.6%)

 

InChI:InChI=1S/C8H6BrNO2/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-3,11H,1H3

InChI Key:FHXLXRNDUJYBEQ-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C(=CC(=C1)C#N)Br)O

 

Thermal Properties Value Condition Note
Melting Point 144 °C   (1)CAS

Specification

98%
References
  1. (1) Misani, Fernanda; Journal of Organic Chemistry 1945, V10, P347-65 CAPLUS
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