7-Chloro-1H-indole-2-carboxylic acid
7-Chloro-1H-indole-2-carboxylic acid structure
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Common Name | 7-Chloro-1H-indole-2-carboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 28899-75-4 | Molecular Weight | 195.602 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 449.7±25.0 °C at 760 mmHg | |
| Molecular Formula | C9H6ClNO2 | Melting Point | N/A | |
| MSDS | USA | Flash Point | 225.8±23.2 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 7-Chloro-1H-indole-2-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 449.7±25.0 °C at 760 mmHg |
| Molecular Formula | C9H6ClNO2 |
| Molecular Weight | 195.602 |
| Flash Point | 225.8±23.2 °C |
| Exact Mass | 195.008713 |
| PSA | 53.09000 |
| LogP | 3.41 |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.728 |
| InChIKey | NVKAHBFPKVINGE-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cc2cccc(Cl)c2[nH]1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~99%
7-Chloro-1H-ind... CAS#:28899-75-4 |
| Literature: Jablonowski, Jill A.; Grice, Cheryl A.; Chai, Wenying; Dvorak, Curt A.; Venable, Jennifer D.; Kwok, Annette K.; Ly, Kiev S.; Wei, Jianmei; Baker, Sherry M.; Desai, Pragnya J.; Jiang, Wen; Wilson, Sandy J.; Thurmond, Robin L.; Karlsson, Lars; Edwards, James P.; Lovenberg, Timothy W.; Carruthers, Nicholas I. Journal of Medicinal Chemistry, 2003 , vol. 46, # 19 p. 3957 - 3960 |
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~%
7-Chloro-1H-ind... CAS#:28899-75-4 |
| Literature: Singer; Shive Journal of the American Chemical Society, 1955 , vol. 77, p. 5700 |
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~%
7-Chloro-1H-ind... CAS#:28899-75-4 |
| Literature: Rydon; Tweddle Journal of the Chemical Society, 1955 , p. 3499,3502 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 3 | |
CAS#:96631-87-7
CAS#:53924-05-3
CAS#:1670-83-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: qHTS assay for inhibitors of human lactate dehydrogenase
Source: NCGC
Target: N/A
External Id: LDHA
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Name: Dissociation constant for HCV NS3 protease substrate binding site
Source: ChEMBL
Target: Genome polyprotein
External Id: CHEMBL751815
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Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-FF
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|
Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-Ren
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 7-chloroindole-2-carboxylic acid |
| 7-chloro-2-indolecarboxylic acid |
| 7-Chlor-indol-2-carbonsaeure |
| WT595 |
| 7-Chloro-1H-indole-2-carboxylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 7-Chloro-1H-indole-2-carboxylic acid? |
| A: Molecular formula of 7-Chloro-1H-indole-2-carboxylic acid is C9H6ClNO2. |
| Q: What is the English name of 7-Chloro-1H-indole-2-carboxylic acid? |
| A: The English name of 7-Chloro-1H-indole-2-carboxylic acid is 7-Chloro-1H-indole-2-carboxylic acid. |
| Q: What is the InChIKey of 7-Chloro-1H-indole-2-carboxylic acid? |
| A: InChIKey of 7-Chloro-1H-indole-2-carboxylic acid is NVKAHBFPKVINGE-UHFFFAOYSA-N. |
| Q: What is the CAS number of 7-Chloro-1H-indole-2-carboxylic acid? |
| A: CAS number of 7-Chloro-1H-indole-2-carboxylic acid is 28899-75-4. |
| Q: What is the polar surface area (PSA) of 7-Chloro-1H-indole-2-carboxylic acid? |
| A: Polar surface area (PSA) of 7-Chloro-1H-indole-2-carboxylic acid is 53.09000. |
| Q: What are the downstream products of 7-Chloro-1H-indole-2-carboxylic acid? |
| A: Related downstream products(CAS) of 7-Chloro-1H-indole-2-carboxylic acid: 96631-87-7;53924-05-3;1670-83-3. |
| Q: What is the LogP of 7-Chloro-1H-indole-2-carboxylic acid? |
| A: LogP of 7-Chloro-1H-indole-2-carboxylic acid is 3.41. |
| Q: What is the boiling point of 7-Chloro-1H-indole-2-carboxylic acid? |
| A: Boiling point of 7-Chloro-1H-indole-2-carboxylic acid is 449.7±25.0 °C at 760 mmHg. |
| Q: What are the upstream materials of 7-Chloro-1H-indole-2-carboxylic acid? |
| A: Related upstream materials(CAS) of 7-Chloro-1H-indole-2-carboxylic acid: 77158-85-1;43142-70-7. |
| Q: What is the SMILES notation of 7-Chloro-1H-indole-2-carboxylic acid? |
| A: SMILES notation of 7-Chloro-1H-indole-2-carboxylic acid is O=C(O)c1cc2cccc(Cl)c2[nH]1. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |