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CAS Number: 4027-57-0
ethyl 5-methyl-1H-pyrazole-3-carboxylate

Structure

 ethyl 5-methyl-1H-pyrazole-3-carboxylate
Name: ethyl 5-methyl-1H-pyrazole-3-carboxylate
Synonyms:
General Information
Product Number: 4027570
CAS Registry Number: 4027-57-0
Name:
        1H-​Pyrazole-​3-​carboxylic acid, 5-​methyl-​, ethyl ester
        Pyrazole-​3(or 5)​-​carboxylic acid, 5(or 3)​-​methyl-​, ethyl ester (6CI,​7CI); Pyrazole-​3-​carboxylic acid, 5-​methyl-​, ethyl ester (8CI); 3-​Ethoxycarbonyl-​5-​methylpyrazole; 5-​Methyl-​1H-​pyrazole-​3-​carboxylic acid ethyl ester; 5-​Methylpyrazole-​3-​carboxylic acid ethyl ester; Ethyl 3-​methyl-​5-​pyrazolecarboxylate; Ethyl 5-​methyl-​1H-​pyrazole-​3-​carboxylate; Ethyl 5-​methylpyrazole-​3-​carboxylate; NSC 44006; NSC 62433 
 
        Alternate CAS Registry Numbers: 1226862-09-4
        Deleted CAS Registry Numbers: 17599-​24-​5, 84501-​66-​6, 89239-​81-​6, 129506-​37-​2, 133261-​00-​4, 136679-​07-​7, 141665-​26-​1, 174198-​27-​7, 209601-​45-​6, 278798-​26-​8, 681468-​22-​4, 684287-​97-​6, 695184-​13-​5, 741706-​00-​3, 856691-​69-​5, 890719-​15-​0, 1096969-​08-​2
 
Chemical Formula: C7H10N2O2
Exact Mass: 154.07
Molecular Weight: 154.17
m/z: 154.07 (100.0%), 155.08 (7.8%)
Elemental Analysis: C, 54.54; H, 6.54; N, 18.17; O, 20.76
 
InChI: InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-5(2)8-9-6/h4H,3H2,1-2H3,(H,8,9)
InChIKey: BOTXQJAHRCGJEG-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=NNC(=C1)C
 
Thermal Properties Value Condition Note
Melting Point 84-86 °C   (6)CAS
Melting Point 83 °C   (7)CAS
Melting Point 83 °C Solv: ethanol (64-17-5) (8)IC
Melting Point 82 °C   (9)CAS
Melting Point 82 °C   (10)CAS

Specification

98%
References
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  15. (15) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
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