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CAS Number: 127510-96-7
methyl 2-cyano-4-fluorobenzoate

Structure

methyl 2-cyano-4-fluorobenzoate
Name: methyl 2-cyano-4-fluorobenzoate
Synonyms:
General Information
Product Number: 127510967

CAS Registry Number 127510-96-7
Name:
Benzoic acid, 2-​cyano-​4-​fluoro-​, methyl ester
Methyl 2-cyano-4-fluorobenzoate

 

Chemical Formula: C9H6FNO2
Exact Mass: 179.04
Molecular Weight: 179.15
m/z: 179.04 (100.0%), 180.04 (10.2%)

 

InChI:InChI=1S/C9H6FNO2/c1-13-9(12)8-3-2-7(10)4-6(8)5-11/h2-4H,1H3

InChI Key:BCYCPVRVZPDHEC-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=C(C=C(C=C1)F)C#N

 

Thermal Properties Value Condition Note
Melting Point 104-106 °C   (1)IC

Specification

98%

References

(1) Wroel, Jay E.; US 4900739 A 1990 CAPLUS

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