Product Number: 797027839
CAS Registry Number: 1621-91-6
Name:
1H-Pyrazole-3-carboxylic acid
Pyrazole-3(or 5)-carboxylic acid (6CI,7CI); Pyrazole-3-carboxylic acid (8CI); 1H-Pyrazole-5-carboxylic acid; 3-Carboxypyrazole; Pyrazole-3(5)-carboxylic acid
Deleted CAS Registry Numbers: 1500-64-7, 87086-18-8, 797027-83-9, 890624-41-6, 929909-38-6, 948553-72-8,
Chemical Formula: C4H4N2O2
Exact Mass: 112.03
Molecular Weight: 112.09
m/z: 112.03 (100.0%), 113.03 (4.4%)
InChI: InChI=1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8)
InChIKey: KOPFEFZSAMLEHK-UHFFFAOYSA-N
Canonical SMILES : C1=C(NN=C1)C(=O)O
| Thermal Properties |
Value |
Condition |
Note |
| Melting Point |
293 °C (decomp) |
|
(3)CAS |
| Melting Point |
216-217 °C (decomp) |
|
(7)CAS |
| Melting Point |
215 °C |
|
(8)CAS |
| Melting Point |
214-216 °C |
Solv: ethanol (64-17-5) |
(9)CAS |
| Melting Point |
213-215 °C |
|
(10)CAS |
| Melting Point |
212-214 °C |
|
(11)CAS |
| Melting Point |
212-214 °C |
Solv: ethanol (64-17-5) |
(12)CAS |
| Melting Point |
212-213.5 °C |
|
(13)CAS |
| Melting Point |
210-211 °C |
|
(14)CAS |
|
- (1) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
- (2) Cabildo, Pilar; Organic Magnetic Resonance 1984, V22(9), P603-7 CAPLUS
- (3) Parameswaran, P. S.; Journal of Natural Products 1997, V60(8), P802-803 CAPLUS
- (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
- (5) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
- (6) Mallavadhani, Uppuluri V.; Food Chemistry 2005, V95(1), P58-64 CAPLUS
- (7) Jones, Reuben G.; Journal of the American Chemical Society 1953, V75, P4048-52 CAPLUS
- (8) Freudenberg, Karl; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1923, V56B, P1243-7 CAPLUS
- (9) Smolyar, N. N.; Russian Journal of Organic Chemistry 2010, V46(1), P122-125 CAPLUS
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- (11) Schneider, Friedhelm; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie 1962, V327, P74-85 CAPLUS
- (12) Smolyar, N. N.; Russian Journal of Organic Chemistry 2008, V44(8), P1205-1210 CAPLUS
- (13) Sokolov, L. B.; Zhurnal Organicheskoi Khimii 1965, V1(3), P610-11 CAPLUS
- (14) Huttel, Rudolf; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1941, V74B, P1680-7 CAPLUS
- (15) Alkorta, Ibon; Structural Chemistry 2005, V16(5), P507-514 CAPLUS
- (16) Lyalin, B. V.; Russian Journal of Electrochemistry 2010, V46(2), P123-129 CAPLUS
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