Cas no 864068-95-1 (1H-Pyrazole-5-carbonylchloride, 1-methyl-3-phenyl-)
1H-Pyrazole-5-carbonylchloride, 1-methyl-3-phenyl-, is a versatile heterocyclic building block used in organic synthesis and pharmaceutical applications. Its reactive carbonyl chloride group enables efficient acylation reactions, making it valuable for constructing amide or ester derivatives. The 1-methyl-3-phenyl substitution enhances stability while maintaining reactivity, offering selectivity in coupling reactions. This compound is particularly useful in medicinal chemistry for developing pyrazole-based scaffolds, which are prevalent in bioactive molecules. Its well-defined structure ensures consistent performance in multi-step syntheses. Suitable for controlled environments, it requires handling under inert conditions due to its moisture sensitivity. The product is characterized by high purity, ensuring reliable results in research and industrial applications.
864068-95-1 structure
Product Name:1H-Pyrazole-5-carbonylchloride, 1-methyl-3-phenyl-
CAS No:864068-95-1
MF:C11H9ClN2O
MW:220.65496134758
MDL:MFCD08271940
CID:719885
PubChem ID:7537627
Update Time:2025-10-19
1H-Pyrazole-5-carbonylchloride, 1-methyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carbonylchloride, 1-methyl-3-phenyl-
- 1-methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride
- 2-methyl-5-phenylpyrazole-3-carbonyl chloride
- 864068-95-1
- MFCD08271940
- DTXSID50428770
- FT-0705608
- SCHEMBL2790174
- DB-076616
-
- MDL： MFCD08271940
- Inchi： 1S/C11H9ClN2O/c1-14-10(11(12)15)7-9(13-14)8-5-3-2-4-6-8/h2-7H,1H3
- InChI Key： YTYWUDWSOXANNS-UHFFFAOYSA-N
- SMILES： ClC(C1=CC(C2C=CC=CC=2)=NN1C)=O
Computed Properties
- Exact Mass: 220.04000
- Monoisotopic Mass: 220.0403406g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 241
- 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
- XLogP3: 2.7
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- Density: 1.26
- Melting Point: 88 °C
- Boiling Point: 366.9°C at 760 mmHg
- Flash Point: 175.7°C
- Refractive Index: 1.611
- PSA: 34.89000
- LogP: 2.46610
1H-Pyrazole-5-carbonylchloride, 1-methyl-3-phenyl- Security Information
- Hazardous Material transportation number：UN 3261
- Hazard Category Code： 14-22-29-34
- Safety Instruction： 8-22-26-30-36/37/39-45
-
Hazardous Material Identification：
- Risk Phrases：R14; R22; R29; R34
1H-Pyrazole-5-carbonylchloride, 1-methyl-3-phenyl- 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%
1H-Pyrazole-5-carbonylchloride, 1-methyl-3-phenyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Apollo Scientific | OR3898-250mg |
1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride |
864068-95-1 | 97% | 250mg |
￡70.00 | 2023-09-02 | |
| Apollo Scientific | OR3898-1g |
1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride |
864068-95-1 | 97% | 1g |
￡210.00 | 2023-09-02 | |
| abcr | AB172788-1 g |
1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride; 95% |
864068-95-1 | 1g |
€249.20 | 2022-03-04 | ||
| abcr | AB172788-1g |
1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride, 95%; . |
864068-95-1 | 95% | 1g |
€276.30 | 2025-04-16 | |
| abcr | AB172788-5g |
1-Methyl-3-phenyl-1H-pyrazole-5-carbonyl chloride, 95%; . |
864068-95-1 | 95% | 5g |
€782.00 | 2025-04-16 |
1H-Pyrazole-5-carbonylchloride, 1-methyl-3-phenyl- Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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