Cas no 1388065-97-1 (2-chloro-1H-Benzimidazole-7-carboxylic acid)
2-Chloro-1H-benzimidazole-7-carboxylic acid is a heterocyclic compound featuring a benzimidazole core substituted with a chloro group at the 2-position and a carboxylic acid moiety at the 7-position. This structure imparts versatility as an intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The chloro group enhances reactivity for further functionalization, while the carboxylic acid allows for derivatization into esters, amides, or other derivatives. Its rigid benzimidazole scaffold contributes to stability and potential biological activity, making it valuable in medicinal chemistry research. The compound is typically handled under controlled conditions due to its reactive functional groups, ensuring purity for synthetic applications.
1388065-97-1 structure
Product Name:2-chloro-1H-Benzimidazole-7-carboxylic acid
CAS No:1388065-97-1
MF:C8H5ClN2O2
MW:196.590500593185
CID:1105622
PubChem ID:53829933
Update Time:2025-05-28
2-chloro-1H-Benzimidazole-7-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-1H-Benzimidazole-7-carboxylic acid
- 2-Chloro-1H-benzo[d]imidazole-7-carboxylic acid
- SCHEMBL20449581
- 2-Chloro-1H-benzo[d]imidazole-4-carboxylic acid
- 2-chloro-1H-1,3-benzodiazole-4-carboxylic acid
- 1388065-97-1
- DB-392856
-
- Inchi： 1S/C8H5ClN2O2/c9-8-10-5-3-1-2-4(7(12)13)6(5)11-8/h1-3H,(H,10,11)(H,12,13)
- InChI Key： GBSYZCRWZJEVLL-UHFFFAOYSA-N
- SMILES： ClC1=NC2C(C(=O)O)=CC=CC=2N1
Computed Properties
- Exact Mass: 196.0039551g/mol
- Monoisotopic Mass: 196.0039551g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 224
- 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
- Topological Polar Surface Area: 66?2
2-chloro-1H-Benzimidazole-7-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A061000052-250mg |
2-Chloro-1H-benzimidazole-7-carboxylic acid |
1388065-97-1 | 98% | 250mg |
$747.70 | 2022-04-02 | |
| Alichem | A061000052-500mg |
2-Chloro-1H-benzimidazole-7-carboxylic acid |
1388065-97-1 | 98% | 500mg |
$1,066.68 | 2022-04-02 | |
| Alichem | A061000052-1g |
2-Chloro-1H-benzimidazole-7-carboxylic acid |
1388065-97-1 | 98% | 1g |
$1,828.60 | 2022-04-02 |
2-chloro-1H-Benzimidazole-7-carboxylic acid Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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