Cas no 869901-14-4 (5-(chloromethyl)-1-methyl-3-phenyl-1H-pyrazole)
5-(Chloromethyl)-1-methyl-3-phenyl-1H-pyrazole is a versatile pyrazole derivative widely used as a key intermediate in organic synthesis and pharmaceutical research. Its reactive chloromethyl group enables efficient functionalization, making it valuable for constructing more complex heterocyclic compounds. The compound exhibits excellent stability under standard conditions, ensuring reliable handling and storage. Its well-defined structure allows for precise modifications, facilitating applications in medicinal chemistry, particularly in the development of bioactive molecules. The phenyl and methyl substituents enhance its lipophilicity, improving solubility in organic solvents for diverse reaction conditions. This compound is particularly useful in cross-coupling reactions and nucleophilic substitutions, offering high selectivity and yield. Its consistent purity and reactivity make it a preferred choice for researchers in drug discovery and material science.
869901-14-4 structure
Product Name:5-(chloromethyl)-1-methyl-3-phenyl-1H-pyrazole
CAS No:869901-14-4
MF:C11H11ClN2
MW:206.671441316605
MDL:MFCD08271944
CID:719087
PubChem ID:18525796
Update Time:2025-07-02
5-(chloromethyl)-1-methyl-3-phenyl-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole,5-(chloromethyl)-1-methyl-3-phenyl-
- 5-(chloromethyl)-1-methyl-3-phenyl-1H-pyrazole
- 5-(chloromethyl)-1-methyl-3-phenylpyrazole
- 1H-Pyrazole, 5-(chloromethyl)-1-methyl-3-phenyl-
-
- MDL: MFCD08271944
- Inchi: 1S/C11H11ClN2/c1-14-10(8-12)7-11(13-14)9-5-3-2-4-6-9/h2-7H,8H2,1H3
- InChI Key: IWLXERDRDLVWMR-UHFFFAOYSA-N
- SMILES: N1(C)C(CCl)=CC(C2=CC=CC=C2)=N1
Computed Properties
- Exact Mass: 206.06100
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
Experimental Properties
- Density: 1.17
- Melting Point: 70 °C
- Boiling Point: 338.1°C at 760 mmHg
- Flash Point: 158.3°C
- Refractive Index: 1.589
- PSA: 17.82000
- LogP: 2.82590
5-(chloromethyl)-1-methyl-3-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-(chloromethyl)-1-methyl-3-phenyl-1H-pyrazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C261461-100mg |
5-(Chloromethyl)-1-methyl-3-phenyl-1h-pyrazole |
869901-14-4 | 100mg |
$ 160.00 | 2022-04-01 | ||
| TRC | C261461-500mg |
5-(Chloromethyl)-1-methyl-3-phenyl-1h-pyrazole |
869901-14-4 | 500mg |
$ 570.00 | 2022-04-01 | ||
| TRC | C261461-1g |
5-(Chloromethyl)-1-methyl-3-phenyl-1h-pyrazole |
869901-14-4 | 1g |
$ 890.00 | 2022-04-01 | ||
| abcr | AB224948-1 g |
5-(Chloromethyl)-1-methyl-3-phenyl-1H-pyrazole; 95% |
869901-14-4 | 1g |
€384.30 | 2022-03-04 | ||
| abcr | AB224948-250mg |
5-(Chloromethyl)-1-methyl-3-phenyl-1H-pyrazole, 95%; . |
869901-14-4 | 95% | 250mg |
€228.00 | 2025-04-16 | |
| abcr | AB224948-1g |
5-(Chloromethyl)-1-methyl-3-phenyl-1H-pyrazole, 95%; . |
869901-14-4 | 95% | 1g |
€355.50 | 2025-04-16 | |
| abcr | AB224948-5g |
5-(Chloromethyl)-1-methyl-3-phenyl-1H-pyrazole, 95%; . |
869901-14-4 | 95% | 5g |
€1011.20 | 2025-04-16 | |
| abcr | AB224948-10g |
5-(Chloromethyl)-1-methyl-3-phenyl-1H-pyrazole, 95%; . |
869901-14-4 | 95% | 10g |
€1785.20 | 2025-04-16 | |
| Enamine | EN300-1862865-1g |
5-(chloromethyl)-1-methyl-3-phenyl-1H-pyrazole |
869901-14-4 | 1g |
$1086.0 | 2023-09-18 | ||
| Enamine | EN300-1862865-5g |
5-(chloromethyl)-1-methyl-3-phenyl-1H-pyrazole |
869901-14-4 | 5g |
$3147.0 | 2023-09-18 |
5-(chloromethyl)-1-methyl-3-phenyl-1H-pyrazole Related Literature
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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