Cas no 15802-80-9 (3-Tert-butyl-1H-pyrazole)
3-Tert-butyl-1H-pyrazole is a heterocyclic organic compound featuring a pyrazole core substituted with a tert-butyl group at the 3-position. This structure imparts steric hindrance and electronic effects, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its tert-butyl group enhances stability and influences reactivity, facilitating selective modifications in complex molecular frameworks. The compound is particularly useful in the development of active pharmaceutical ingredients (APIs) and ligands for catalytic systems. High purity grades are available to meet rigorous research and industrial standards, ensuring reproducibility in synthetic applications. Its well-defined chemical properties make it a reliable building block for specialized organic transformations.
3-Tert-butyl-1H-pyrazole structure
Product Name:3-Tert-butyl-1H-pyrazole
CAS No:15802-80-9
MF:C7H12N2
MW:124.183581352234
MDL:MFCD00159653
CID:222680
PubChem ID:139978
Update Time:2025-05-27
3-Tert-butyl-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 3-(tert-Butyl)-1H-pyrazole
- 3-(tert-Butyl)pyrazole
- 1H-Pyrazole,3-(1,1-dimethylethyl)-
- 3-tert-Butyl-1H-pyrazole
- 5-tert-butyl-1H-pyrazole
- 3(5)-t-butylpyrazole
- 3(5)-tert-butylpyrazole
- 3-tBu-pyrazole
- 3-tert-butyl-1H-pyrazole(SALTDATA: FREE)
- 3-tert-butylpyrazol
- 3-tert-Butylpyrazole
- 3-t-butylpyrazole
- 1H-Pyrazole, 3-(1,1-dimethylethyl)-
- 5(3)-tert-butyl-1H-pyrazole
- 3-t-butyl-1H-pyrazole
- Bionet2_000181
- YIDCITOHTLPMMZ-UHFFFAOYSA-N
- HMS1364I05
- 3-(1,1-dimethylethyl)1H-pyrazole
- STK503396
- BBL018007
- 4977AD
- SBB047790
- 3-(1,1-dimet
- 3-Tert-butyl-1H-pyrazole
-
- MDL： MFCD00159653
- Inchi： 1S/C7H12N2/c1-7(2,3)6-4-5-8-9-6/h4-5H,1-3H3,(H,8,9)
- InChI Key： YIDCITOHTLPMMZ-UHFFFAOYSA-N
- SMILES： N1C(=CC=N1)C(C)(C)C
Computed Properties
- Exact Mass: 124.10000
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 93.6
- Topological Polar Surface Area: 28.7
Experimental Properties
- Density: 0.972±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 53-54 oC
- Boiling Point: 127 oC (0.15 Torr)
- Flash Point: 87.9±11.7 oC,
- Solubility: Very slightly soluble (0.65 g/l) (25 o C),
- PSA: 28.68000
- LogP: 1.70720
3-Tert-butyl-1H-pyrazole Security Information
- Hazard Category Code： 22-36/37/38
- Safety Instruction： 26
-
Hazardous Material Identification：
- HazardClass：IRRITANT
3-Tert-butyl-1H-pyrazole 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-Tert-butyl-1H-pyrazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 037138-600mg |
3-Tert-butyl-1H-pyrazole |
15802-80-9 | 600mg |
1105CNY | 2021-05-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 037138-5g |
3-Tert-butyl-1H-pyrazole |
15802-80-9 | 5g |
3966CNY | 2021-05-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 037138-1g |
3-Tert-butyl-1H-pyrazole |
15802-80-9 | 1g |
1608CNY | 2021-05-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-NR541-250mg |
3-Tert-butyl-1H-pyrazole |
15802-80-9 | 97% | 250mg |
491CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-NR541-50mg |
3-Tert-butyl-1H-pyrazole |
15802-80-9 | 97% | 50mg |
94.0CNY | 2021-07-13 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-NR541-1g |
3-Tert-butyl-1H-pyrazole |
15802-80-9 | 97% | 1g |
615.0CNY | 2021-07-13 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-NR541-5g |
3-Tert-butyl-1H-pyrazole |
15802-80-9 | 97% | 5g |
1869.0CNY | 2021-07-13 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 037138-5g |
3-Tert-butyl-1H-pyrazole |
15802-80-9 | 5g |
3966.0CNY | 2021-07-05 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 037138-1g |
3-Tert-butyl-1H-pyrazole |
15802-80-9 | 1g |
1608.0CNY | 2021-07-05 | ||
| Apollo Scientific | OR909140-1g |
3-tert-Butyl-1H-pyrazole |
15802-80-9 | 97% | 1g |
￡130.00 | 2023-09-01 |
3-Tert-butyl-1H-pyrazole Related Literature
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Jonathan Day,Katie E. R. Marriott,Colin A. Kilner,Malcolm A. Halcrow New J. Chem. 2010 34 52
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2. New gold pincer-type complexes: synthesis, characterization, DNA binding studies and cytotoxicitySne?ana Radisavljevi?,Ioannis Bratsos,Andreas Scheurer,Jana Korzekwa,Romana Masnikosa,Aleksandar Tot,Nevenka Gligorijevi?,Sini?a Radulovi?,Ana Rilak Simovi? Dalton Trans. 2018 47 13696
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Cornelis G. J. Tazelaar,Emmanuel Nicolas,Tom van Dijk,Dani?l L. J. Broere,Mitchel Cardol,Martin Lutz,Dietrich Gudat,J. Chris Slootweg,Koop Lammertsma Dalton Trans. 2016 45 2237
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Alexander J. Blake,David Clarke,Richard W. Mares,Hamish McNab Org. Biomol. Chem. 2003 1 4268
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Mark C. Bagley,Terence Davis,Matthew C. Dix,Caroline S. Widdowson,David Kipling Org. Biomol. Chem. 2006 4 4158
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