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CAS Number: 67808-36-0
methyl 4-cyanothiophene-3-carboxylate

Structure

methyl 4-cyanothiophene-3-carboxylate
Name: methyl 4-cyanothiophene-3-carboxylate
Synonyms:
General Information
Product Number: 67808360

CAS Registry Number 67808-36-0
Name:
3-​Thiophenecarboxylic acid, 4-​cyano-​, methyl ester
Methyl 4-cyano-3-thiophenecarboxylate

 

Chemical Formula: C7H5NO2S
Exact Mass: 167.00
Molecular Weight: 167.19
m/z: 167.00 (100.0%), 168.01 (7.7%), 169.00 (4.6%), 168.00 (1.2%)

 

InChI:InChI=1S/C7H5NO2S/c1-10-7(9)6-4-11-3-5(6)2-8/h3-4H,1H3

InChI Key:OYLLMMDSPYTFPP-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CSC=C1C#N

 

Thermal Properties Value Condition Note
Melting Point 97 °C Solv: ethyl ether (60-29-7) (2)IC

Specification

98%

References

(2) Struharik, M.; Chemical Papers 1986, V40(5), P639-48 CAPLUS

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