Cas no 2458-26-6 (5-phenyl-1H-pyrazole)
5-Phenyl-1H-pyrazole is a heterocyclic aromatic compound featuring a pyrazole ring substituted with a phenyl group at the 5-position. This structure imparts versatility in organic synthesis, serving as a key intermediate for pharmaceuticals, agrochemicals, and materials science applications. Its rigid aromatic framework enhances stability, while the reactive NH group and phenyl substitution offer sites for further functionalization. The compound is particularly valued in medicinal chemistry for its role in designing bioactive molecules, including kinase inhibitors and anti-inflammatory agents. High purity grades ensure consistent performance in research and industrial processes. Its well-defined chemical properties make it a reliable building block for complex molecular architectures.
5-phenyl-1H-pyrazole structure
Product Name:5-phenyl-1H-pyrazole
CAS No:2458-26-6
MF:C9H8N2
MW:144.173221588135
MDL:MFCD00462183
CID:43005
PubChem ID:24884849
Update Time:2025-06-07
5-phenyl-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 3-Phenyl-1H-pyrazole
- 1H-Pyrazole, 3-phenyl-
- 3-phenyl-pyrazol
- Pyrazole, 3-phenyl-
- BUTTPARK 44\09-05
- ART-CHEM-BB B028621
- AKOS B028621
- 3(5)-Phenyl-1H-pyrazole
- 3-Phenylpyrazole
- 5-Phenyl-1H-pyrazole
- 1H-Pyrazole,3-phenyl
- 3-benzylpyrazole
- 3-Phenylpyrazol
- 3-phenyl-pyrazole
- 5-phenylpyrazole
- PYRAZOLE,3-PHENYL
- phenylpyrazole
- Q63398285
- 3-Phenyl pyrazole
- 3(5)-phenylpyrazole
- PubChem10422
- 3-Phenyl-1H-pyrazole #
- KSC201S1N
- BCP25611
- CL3440
- BBL01245
- P2063
- AKOS000313117
- MFCD00159654
- AS-5622
- AC-23138
- FT-0616352
- J-640158
- AKOS000345348
- A5050
- 3-Phenyl-1H-pyrazole, 97%
- J-513034
- EN300-62492
- NCGC00331164-01
- HY-W002461
- SY009071
- BB 0237722
- AM80878
- SCHEMBL9438
- CS-W002461
- AB01205810-03
- J-800161
- F1667-0020
- 2458-26-6
- DTXSID40179320
- Z1224534135
- CHEMBL38876
- BDBM50078831
- STK097634
- DTXCID70101811
- ALBB-005415
- pyrazole, 3(5)-phenyl-
- DB-011228
- 5-phenyl-1H-pyrazole
-
- MDL： MFCD00462183
- Inchi： 1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)
- InChI Key： OEDUIFSDODUDRK-UHFFFAOYSA-N
- SMILES： N1C(=CC=N1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 144.06900
- Monoisotopic Mass: 144.068748
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 119
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 1.9
- Topological Polar Surface Area: 28.7
Experimental Properties
- Color/Form: White or orange powder
- Density: 1.1357 (rough estimate)
- Melting Point: 75.0 to 79.0 deg-C
- Boiling Point: 314°C(lit.)
- Flash Point: 163.8℃
- Refractive Index: 1.5960 (estimate)
- PSA: 28.68000
- LogP: 2.07670
- Solubility: Not determined
5-phenyl-1H-pyrazole Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Warning
- Hazard Statement： H302,H312,H315,H319,H332,H335
- Warning Statement： P261,P280,P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： S37/39-S26
- RTECS：UQ7950000
-
Hazardous Material Identification：
- HazardClass：IRRITANT
- Storage Condition：Sealed in dry,Room Temperature
- Safety Term：S26;S37/39
- Risk Phrases：R22; R36/37/38
5-phenyl-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%
5-phenyl-1H-pyrazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| AstaTech | CL3440-25/G |
3-PHENYL-1H-PYRAZOLE |
2458-26-6 | 97% | 25g |
$42 | 2023-09-15 | |
| AstaTech | CL3440-100/G |
3-PHENYL-1H-PYRAZOLE |
2458-26-6 | 97% | 100/G |
$255 | 2022-05-31 | |
| Alichem | A049003181-100g |
3-Phenyl-1H-pyrazole |
2458-26-6 | 98% | 100g |
$245.70 | 2023-09-02 | |
| Fluorochem | 017112-1g |
3-Phenyl-1H-pyrazole |
2458-26-6 | 97% | 1g |
￡10.00 | 2022-03-01 | |
| Fluorochem | 017112-5g |
3-Phenyl-1H-pyrazole |
2458-26-6 | 97% | 5g |
￡23.00 | 2022-03-01 | |
| Fluorochem | 017112-10g |
3-Phenyl-1H-pyrazole |
2458-26-6 | 97% | 10g |
￡43.00 | 2022-03-01 | |
| Fluorochem | 017112-25g |
3-Phenyl-1H-pyrazole |
2458-26-6 | 97% | 25g |
￡86.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P124738-25g |
5-phenyl-1H-pyrazole |
2458-26-6 | 97% | 25g |
￥324.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P124738-5g |
5-phenyl-1H-pyrazole |
2458-26-6 | 97% | 5g |
￥90.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | P124738-100g |
5-phenyl-1H-pyrazole |
2458-26-6 | 97% | 100g |
￥1150.90 | 2023-09-01 |
5-phenyl-1H-pyrazole Related Literature
-
Karolina Dzedulionyt?,Nina Fuxreiter,Ekaterina Schreiber-Brynzak,Asta ?ukauskait?,Algirdas ?a?kus,Verena Pichler,Egl? Arba?iauskien? RSC Adv. 2023 13 7897
-
Sunita Choudhary,Manoj Kumar Muthyala,Keykavous Parang,Anil Kumar Org. Chem. Front. 2014 1 683
-
Balakrishna Aegurla,Rama Krishna Peddinti Org. Biomol. Chem. 2017 15 9643
-
Narasimha Swamy Thirukovela,Ramesh Balaboina,Vinayak Botla,Ravinder Vadde,Sreekantha Babu Jonnalagadda,Chandra Sekhar Vasam Catal. Sci. Technol. 2019 9 6471
-
Vasiliy M. Muzalevskiy,Valentine G. Nenajdenko Org. Biomol. Chem. 2018 16 7935
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