Cas no 27746-04-9 (5-chloro-1H-pyrrole-2-carboxylic acid)
5-Chloro-1H-pyrrole-2-carboxylic acid is a halogenated pyrrole derivative with significant utility in pharmaceutical and agrochemical synthesis. Its carboxylic acid functionality enables versatile derivatization, while the chloro-substituent enhances reactivity for cross-coupling and nucleophilic substitution reactions. This compound serves as a key intermediate in the preparation of heterocyclic compounds, particularly those with biological activity. Its structural features make it valuable for constructing complex molecular frameworks in medicinal chemistry. The product exhibits high purity and stability under standard storage conditions, ensuring consistent performance in synthetic applications. Its compatibility with common organic solvents further facilitates its use in multistep synthesis workflows.
27746-04-9 structure
Product Name:5-chloro-1H-pyrrole-2-carboxylic acid
CAS No:27746-04-9
MF:C5H4ClNO2
MW:145.543760299683
CID:4643659
PubChem ID:23423219
Update Time:2025-05-28
5-chloro-1H-pyrrole-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-chloro-1H-pyrrole-2-carboxylic acid
- 1H-Pyrrole-2-carboxylic acid, 5-chloro-
-
- Inchi： 1S/C5H4ClNO2/c6-4-2-1-3(7-4)5(8)9/h1-2,7H,(H,8,9)
- InChI Key： SWLUNFAAJVHVFI-UHFFFAOYSA-N
- SMILES： N1C(Cl)=CC=C1C(O)=O
Computed Properties
- Exact Mass: 144.9930561g/mol
- Monoisotopic Mass: 144.9930561g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 128
- 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: 1.5
- Topological Polar Surface Area: 53.1?2
Experimental Properties
- Density: 1.6±0.1 g/cm3
- Boiling Point: 361.9±22.0 °C at 760 mmHg
- Flash Point: 172.7±22.3 °C
- Vapor Pressure: 0.0±0.9 mmHg at 25°C
5-chloro-1H-pyrrole-2-carboxylic acid Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
5-chloro-1H-pyrrole-2-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-148426-1.0g |
5-chloro-1H-pyrrole-2-carboxylic acid |
27746-04-9 | 95% | 1g |
$1214.0 | 2023-05-20 | |
| TRC | B424083-5mg |
5-chloro-1H-pyrrole-2-carboxylic acid |
27746-04-9 | 5mg |
$ 70.00 | 2022-06-07 | ||
| TRC | B424083-10mg |
5-chloro-1H-pyrrole-2-carboxylic acid |
27746-04-9 | 10mg |
$ 95.00 | 2022-06-07 | ||
| TRC | B424083-50mg |
5-chloro-1H-pyrrole-2-carboxylic acid |
27746-04-9 | 50mg |
$ 365.00 | 2022-06-07 | ||
| Enamine | EN300-148426-0.05g |
5-chloro-1H-pyrrole-2-carboxylic acid |
27746-04-9 | 95% | 0.05g |
$282.0 | 2023-05-20 | |
| Enamine | EN300-148426-0.1g |
5-chloro-1H-pyrrole-2-carboxylic acid |
27746-04-9 | 95% | 0.1g |
$420.0 | 2023-05-20 | |
| Enamine | EN300-148426-0.25g |
5-chloro-1H-pyrrole-2-carboxylic acid |
27746-04-9 | 95% | 0.25g |
$601.0 | 2023-05-20 | |
| Enamine | EN300-148426-0.5g |
5-chloro-1H-pyrrole-2-carboxylic acid |
27746-04-9 | 95% | 0.5g |
$947.0 | 2023-05-20 | |
| Enamine | EN300-148426-2.5g |
5-chloro-1H-pyrrole-2-carboxylic acid |
27746-04-9 | 95% | 2.5g |
$2379.0 | 2023-05-20 | |
| Enamine | EN300-148426-5.0g |
5-chloro-1H-pyrrole-2-carboxylic acid |
27746-04-9 | 95% | 5g |
$3520.0 | 2023-05-20 |
5-chloro-1H-pyrrole-2-carboxylic acid Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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