Cas no 1187560-11-7 (Methyl 4-bromo-5-nitro-1H-pyrazole-3-carboxylate)
Methyl 4-bromo-5-nitro-1H-pyrazole-3-carboxylate is a versatile heterocyclic building block widely used in pharmaceutical and agrochemical synthesis. Its key structural features—a bromo substituent at the 4-position and a nitro group at the 5-position—enhance reactivity, facilitating further functionalization via cross-coupling or nucleophilic substitution reactions. The ester group at the 3-position offers additional derivatization potential, making it valuable for constructing complex pyrazole-based scaffolds. This compound exhibits high purity and stability, ensuring reliable performance in synthetic applications. Its utility in medicinal chemistry is underscored by its role as an intermediate in the development of bioactive molecules, including kinase inhibitors and antimicrobial agents.
1187560-11-7 structure
Product Name:Methyl 4-bromo-5-nitro-1H-pyrazole-3-carboxylate
CAS No:1187560-11-7
MF:C5H4BrN3O4
MW:250.006959915161
MDL:MFCD09972260
CID:1071592
PubChem ID:135959291
Update Time:2025-10-07
Methyl 4-bromo-5-nitro-1H-pyrazole-3-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 4-bromo-5-nitro-1H-pyrazole-3-carboxylate
- AG-B-27956
- CTK6J1165
- CTK8G0997
- methylbromonitropyrazolecarboxylate
- MolPort-009-196-378
- SBB100669
- AKOS030253311
- methyl4-bromo-5-nitro-1H-pyrazole-3-carboxylate
- CS-0338907
- methyl 4-bromo-3-nitro-1H-pyrazole-5-carboxylate
- 1187560-11-7
- J-522321
- METHYL 4-BROMO-5-NITRO-2H-PYRAZOLE-3-CARBOXYLATE
- MB-0824
- DTXSID90649780
- AKOS005073498
-
- MDL： MFCD09972260
- Inchi： 1S/C5H4BrN3O4/c1-13-5(10)3-2(6)4(8-7-3)9(11)12/h1H3,(H,7,8)
- InChI Key： XUVCMPFCEGCQFA-UHFFFAOYSA-N
- SMILES： BrC1=C([N+](=O)[O-])NN=C1C(=O)OC
Computed Properties
- Exact Mass: 248.93852g/mol
- Monoisotopic Mass: 248.93852g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 230
- 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: 1.3
- Topological Polar Surface Area: 101?2
Experimental Properties
- Density: 2.0±0.1 g/cm3
- Melting Point: 140-141°
- Boiling Point: 378.0±37.0 °C at 760 mmHg
- Flash Point: 182.4±26.5 °C
- Vapor Pressure: 0.0±0.9 mmHg at 25°C
Methyl 4-bromo-5-nitro-1H-pyrazole-3-carboxylate Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- HazardClass：IRRITANT
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Methyl 4-bromo-5-nitro-1H-pyrazole-3-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM310099-1g |
Methyl 4-bromo-5-nitro-1H-pyrazole-3-carboxylate |
1187560-11-7 | 95% | 1g |
$482 | 2021-08-18 | |
| TRC | M296773-5mg |
Methyl 4-Bromo-5-nitro-1H-pyrazole-3-carboxylate |
1187560-11-7 | 5mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M296773-10mg |
Methyl 4-Bromo-5-nitro-1H-pyrazole-3-carboxylate |
1187560-11-7 | 10mg |
$ 70.00 | 2022-06-04 | ||
| TRC | M296773-50mg |
Methyl 4-Bromo-5-nitro-1H-pyrazole-3-carboxylate |
1187560-11-7 | 50mg |
$ 275.00 | 2022-06-04 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 048083-1g |
Methyl 4-bromo-5-nitro-1H-pyrazole-3-carboxylate |
1187560-11-7 | >95% | 1g |
8387.0CNY | 2021-07-13 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 048083-500mg |
Methyl 4-bromo-5-nitro-1H-pyrazole-3-carboxylate |
1187560-11-7 | >95% | 500mg |
5444.0CNY | 2021-07-13 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 048083-1g |
Methyl 4-bromo-5-nitro-1H-pyrazole-3-carboxylate |
1187560-11-7 | >95% | 1g |
8387CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 048083-500mg |
Methyl 4-bromo-5-nitro-1H-pyrazole-3-carboxylate |
1187560-11-7 | >95% | 500mg |
5444CNY | 2021-05-07 | |
| Chemenu | CM310099-1g |
Methyl 4-bromo-5-nitro-1H-pyrazole-3-carboxylate |
1187560-11-7 | 95% | 1g |
$482 | 2023-02-03 | |
| A2B Chem LLC | AD74250-1mg |
Methyl 4-bromo-5-nitro-1H-pyrazole-3-carboxylate |
1187560-11-7 | >95% | 1mg |
$201.00 | 2024-04-20 |
Methyl 4-bromo-5-nitro-1H-pyrazole-3-carboxylate Related Literature
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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