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CAS Number: 653-92-9
methyl 2-bromo-4-fluorobenzoate

Structure

methyl 2-bromo-4-fluorobenzoate
Name: methyl 2-bromo-4-fluorobenzoate
Synonyms:
General Information
Product Number: 653929

CAS Registry Number 653-92-9
Name:
Benzoic acid, 2-​bromo-​4-​fluoro-​, methyl ester
2-Bromo-4-fluorobenzoic acid methyl ester
Methyl 2-bromo-4-fluorobenzoate
Methyl 4-fluoro-2-bromobenzoate

 

Chemical Formula: C8H6BrFO2
Exact Mass: 231.95
Molecular Weight: 233.03
m/z: 231.95 (100.0%), 233.95 (97.3%), 232.96 (8.8%), 234.95 (8.4%)

 

InChI:InChI=1S/C8H6BrFO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,1H3

InChI Key:JENBPOJAZCPSEW-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=C(C=C(C=C1)F)Br

 

Thermal Properties Value Condition Note
Boiling Point 122 °C Press: 10 Torr (1)CAS

Specification

98%

References

(1) Dewar, Michael J. S.; Journal of Organic Chemistry 1963, V28, P1759-62 CAPLUS

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