3-Bromo-1-methyl-1H-indole-2-carboxylic acid
3-Bromo-1-methyl-1H-indole-2-carboxylic acid structure
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Common Name | 3-Bromo-1-methyl-1H-indole-2-carboxylic acid | ||
|---|---|---|---|---|
| CAS Number | 499983-77-6 | Molecular Weight | 254.08000 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C10H8BrNO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: 3-Bromo-1-methyl-1H-indole-2-carboxylic acid (CAS number: 499983-77-6) is a compound with molecular formula C10H8BrNO2 and molecular weight 254.08000, appearing as a solid. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-bromo-1-methylindole-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.
| Molecular Formula | C10H8BrNO2 |
|---|---|
| Molecular Weight | 254.08000 |
| Exact Mass | 252.97400 |
| PSA | 42.23000 |
| LogP | 2.63900 |
| InChIKey | IJYYDLASNYBAOR-UHFFFAOYSA-N |
| SMILES | Cn1c(C(=O)O)c(Br)c2ccccc21 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn |
|---|---|
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~86%
3-Bromo-1-methy... CAS#:499983-77-6 |
| Literature: Liu, Yanbing; Gribble, Gordon W Tetrahedron Letters, 2002 , vol. 43, # 40 p. 7135 - 7137 |
|
~69%
3-Bromo-1-methy... CAS#:499983-77-6 |
| Literature: Umemoto, Hideaki; Umemoto, Misako; Ohta, Chiaki; Dohshita, Masashi; Tanaka, Hiroki; Hattori, Syo; Hamamoto, Hiromi; Miki, Yasuyoshi Heterocycles, 2009 , vol. 78, # 11 p. 2845 - 2850 |
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~74%
3-Bromo-1-methy... CAS#:499983-77-6 |
| Literature: Hamamoto, Hiromi; Umemoto, Hideaki; Umemoto, Misako; Ohta, Chiaki; Dohshita, Masashi; Miki, Yasuyoshi Synlett, 2010 , # 17 p. 2593 - 2596 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This 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 collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-bromo-2-carboxy-1-methylindole |
| BD-0701 |
| bromomethylindolecarboxylicacid |
| 3-bromo-1-methyl-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 InChIKey of 3-bromo-1-methylindole-2-carboxylic acid? |
| A: InChIKey of 3-bromo-1-methylindole-2-carboxylic acid is IJYYDLASNYBAOR-UHFFFAOYSA-N. |
| Q: What is the LogP of 3-bromo-1-methylindole-2-carboxylic acid? |
| A: LogP of 3-bromo-1-methylindole-2-carboxylic acid is 2.63900. |
| Q: What is the SMILES notation of 3-bromo-1-methylindole-2-carboxylic acid? |
| A: SMILES notation of 3-bromo-1-methylindole-2-carboxylic acid is Cn1c(C(=O)O)c(Br)c2ccccc21. |
| Q: What is the English name of 3-bromo-1-methylindole-2-carboxylic acid? |
| A: The English name of 3-bromo-1-methylindole-2-carboxylic acid is 3-bromo-1-methylindole-2-carboxylic acid. |
| Q: What is the molecular formula of 3-bromo-1-methylindole-2-carboxylic acid? |
| A: Molecular formula of 3-bromo-1-methylindole-2-carboxylic acid is C10H8BrNO2. |
| Q: What is the polar surface area (PSA) of 3-bromo-1-methylindole-2-carboxylic acid? |
| A: Polar surface area (PSA) of 3-bromo-1-methylindole-2-carboxylic acid is 42.23000. |
| Q: What English synonyms does 3-bromo-1-methylindole-2-carboxylic acid have? |
| A: English synonyms of 3-bromo-1-methylindole-2-carboxylic acid: 3-bromo-2-carboxy-1-methylindole, BD-0701, bromomethylindolecarboxylicacid, 3-bromo-1-methyl-1H-indole-2-carboxylic acid. |
| Q: What is the molecular weight of 3-bromo-1-methylindole-2-carboxylic acid? |
| A: Molecular weight of 3-bromo-1-methylindole-2-carboxylic acid is 254.08000. |
| Q: What are the upstream materials of 3-bromo-1-methylindole-2-carboxylic acid? |
| A: Related upstream materials(CAS) of 3-bromo-1-methylindole-2-carboxylic acid: 124-38-9;128746-62-3;121195-61-7. |
| Q: What is the CAS number of 3-bromo-1-methylindole-2-carboxylic acid? |
| A: CAS number of 3-bromo-1-methylindole-2-carboxylic acid is 499983-77-6. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |