Cas no 40704-11-8 (3-Methyl-1H-pyrazole-4-carboxylic acid)
3-Methyl-1H-pyrazole-4-carboxylic acid is a heterocyclic organic compound featuring a pyrazole ring substituted with a methyl group at the 3-position and a carboxylic acid moiety at the 4-position. This structure makes it a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of active ingredients requiring pyrazole-based scaffolds. Its carboxylic acid functionality allows for further derivatization, enabling the formation of amides, esters, and other derivatives. The compound exhibits good stability under standard conditions and is compatible with a range of synthetic transformations. Its well-defined reactivity profile and purity make it suitable for research and industrial applications in medicinal chemistry and material science.
40704-11-8 structure
Product Name:3-Methyl-1H-pyrazole-4-carboxylic acid
CAS No:40704-11-8
MF:C5H6N2O2
MW:126.113340854645
MDL:MFCD00608153
CID:328856
PubChem ID:557600
Update Time:2025-06-08
3-Methyl-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Methylpyrazole-4-carboxylic Acid
- 3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
- 1H-Pyrazole-4-carboxylicacid, 3-methyl-
- 3-METHYL-1H PYRAZOLE-4-CARBOXYLIC ACID
- 5-methyl-1H-pyrazole-4-carboxylic acid
- 3-methyl-pyrazole-4-carboxylic acid
- 1H-Pyrazole-4-carboxylic acid, 3-methyl-
- HLYYXPDTFLUERX-UHFFFAOYSA-N
- 3-methyl-2H-pyrazole-4-carboxylic acid
- KSC235M6H
- 5-methylpyrazole-4-carboxylic
- 3-Methylpyrazole-4-carboxylicAcid
- 5-Methylpyrazole-4-carboxylic acid
- BCP23459
- MFCD08443868
- AKOS000111464
- 40704-11-8
- MFCD00608153
- EN300-27672
- AMY12268
- 1035225-22-9
- FT-0677171
- A825247
- F3379-1064
- SCHEMBL263529
- AKOS000263856
- 3-Methylpyrazole-4-carboxylic acid, 97%
- BB 0237696
- F31191
- J-512823
- AB06539
- 3-METHYL-1H-PYRAZOLE-4-CARBOXYLICACID
- CHEBI:74742
- DTXSID20961104
- A1-00168
- Q27144871
- AKOS025394089
- Z240985542
- CS-D0839
- TS-01652
- SY013801
- BB 0216334
- 3-Methyl-1H-pyrazole-4-carboxylic acid #
- DB-196645
- ALBB-005391
- STK500937
- BBL011874
- 3-Methyl-1H-pyrazole-4-carboxylic acid
-
- MDL： MFCD00608153
- Inchi： 1S/C5H6N2O2/c1-3-4(5(8)9)2-6-7-3/h2H,1H3,(H,6,7)(H,8,9)
- InChI Key： HLYYXPDTFLUERX-UHFFFAOYSA-N
- SMILES： OC(C1C=NNC=1C)=O
Computed Properties
- Exact Mass: 126.04300
- Monoisotopic Mass: 126.042927438 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 126
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66
- Molecular Weight: 126.11
- XLogP3: 0.1
Experimental Properties
- Density: 1.404±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 225-230?°C (dec.) (lit.)
- Boiling Point: 384.2°C at 760 mmHg
- Flash Point: 186.1℃
- Refractive Index: 1.595
- Solubility: Slightly soluble (6.1 g/l) (25 o C),
- PSA: 65.98000
- LogP: 0.41630
3-Methyl-1H-pyrazole-4-carboxylic acid Security Information
- Hazard Statement： H315-H319-H335
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
-
Hazardous Material Identification：
- HazardClass：IRRITANT
- Storage Condition：Sealed in dry,Room Temperature
3-Methyl-1H-pyrazole-4-carboxylic acid Customs Data
- HS CODE：2933199090
- Customs Data：
China Customs Code:
2933199090Overview:
2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-Methyl-1H-pyrazole-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 644919-1G |
3-Methyl-1H-pyrazole-4-carboxylic acid |
40704-11-8 | 1g |
￥1027.31 | 2023-12-01 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 644919-5G |
3-Methyl-1H-pyrazole-4-carboxylic acid |
40704-11-8 | 97% | 5G |
2714.85 | 2021-05-17 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M833829-1g |
3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID |
40704-11-8 | 95% | 1g |
109.80 | 2021-05-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 011355-500mg |
3-Methyl-1H-pyrazole-4-carboxylic acid |
40704-11-8 | 500mg |
730CNY | 2021-05-08 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-QF680-250mg |
3-Methyl-1H-pyrazole-4-carboxylic acid |
40704-11-8 | 97% | 250mg |
68CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-QF680-5g |
3-Methyl-1H-pyrazole-4-carboxylic acid |
40704-11-8 | 97% | 5g |
603.0CNY | 2021-07-12 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-QF680-1g |
3-Methyl-1H-pyrazole-4-carboxylic acid |
40704-11-8 | 97% | 1g |
142.0CNY | 2021-07-12 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-QF680-25g |
3-Methyl-1H-pyrazole-4-carboxylic acid |
40704-11-8 | 97% | 25g |
2838CNY | 2021-05-08 | |
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | FB00402-100g |
5-methyl-1H-pyrazole-4-carboxylic acid |
40704-11-8 | 95% | 100g |
$579 | 2023-09-07 | |
| Chemenu | CM189012-5g |
3-Methyl-1H-pyrazole-4-carboxylic acid |
40704-11-8 | 95+% | 5g |
$97 | 2021-08-05 |
3-Methyl-1H-pyrazole-4-carboxylic acid Related Literature
-
Meiling Cheng,Qinghua Wang,Jinting Bao,Yujuan Wu,Lin Sun,Bingxin Yang,Qi Liu New J. Chem. 2017 41 5151
-
Jing Liu,Mei-Ling Cheng,Li-Li Yu,Sheng-Chun Chen,Yong-Liang Shao,Qi Liu,Chang-Wei Zhai,Feng-Xiang Yin RSC Adv. 2016 6 52040
-
Meiling Cheng,Lin Sun,Wei Han,Shen Wang,Qi Liu,Xiaoqiang Sun,Haitao Xi New J. Chem. 2016 40 10504
-
Hongren Rong,Peng Song,Gexiang Gao,Qingyan Jiang,Xiaojuan Chen,LiXin Su,Wen-Long Liu,Qi Liu Dalton Trans. 2023 52 1962
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Zhenzhen Wu,Jian Xie,Zhichuan J. Xu,Shanqing Zhang,Qichun Zhang J. Mater. Chem. A 2019 7 4259
40704-11-8 (3-Methyl-1H-pyrazole-4-carboxylic acid) Related Products
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