3-Bromo-4-cyanobenzoic acid
3-Bromo-4-cyanobenzoic acid structure
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Common Name | 3-Bromo-4-cyanobenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 58123-69-6 | Molecular Weight | 226.02700 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C8H4BrNO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Bromo-4-cyanobenzoic 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 | C8H4BrNO2 |
|---|---|
| Molecular Weight | 226.02700 |
| Exact Mass | 224.94300 |
| PSA | 61.09000 |
| LogP | 2.01898 |
| InChIKey | WAFUFPLTXVDCNT-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc(C(=O)O)cc1Br |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2926909090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~92%
3-Bromo-4-cyano... CAS#:58123-69-6 |
| Literature: Wyeth Patent: US2005/282825 A1, 2005 ; Location in patent: Page/Page column 8 ; US 20050282825 A1 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
|---|---|
| DownStream 1 | |
CAS#:90110-97-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Brom-4-chlorthieno<pyridin |
| 3-Bromo-4-cyanobenzoicAcid |
| 3-Brom-4-chlor-thieno-<3,2-c>-pyridin |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 3-Bromo-4-cyanobenzoic acid? |
| A: CAS number of 3-Bromo-4-cyanobenzoic acid is 58123-69-6. |
| Q: What is the SMILES notation of 3-Bromo-4-cyanobenzoic acid? |
| A: SMILES notation of 3-Bromo-4-cyanobenzoic acid is N#Cc1ccc(C(=O)O)cc1Br. |
| Q: What is the LogP of 3-Bromo-4-cyanobenzoic acid? |
| A: LogP of 3-Bromo-4-cyanobenzoic acid is 2.01898. |
| Q: What are the downstream products of 3-Bromo-4-cyanobenzoic acid? |
| A: Related downstream products(CAS) of 3-Bromo-4-cyanobenzoic acid: 90110-97-7. |
| Q: What is the molecular weight of 3-Bromo-4-cyanobenzoic acid? |
| A: Molecular weight of 3-Bromo-4-cyanobenzoic acid is 226.02700. |
| Q: What is the molecular formula of 3-Bromo-4-cyanobenzoic acid? |
| A: Molecular formula of 3-Bromo-4-cyanobenzoic acid is C8H4BrNO2. |
| Q: What is the English name of 3-Bromo-4-cyanobenzoic acid? |
| A: The English name of 3-Bromo-4-cyanobenzoic acid is 3-Bromo-4-cyanobenzoic acid. |
| Q: What is the polar surface area (PSA) of 3-Bromo-4-cyanobenzoic acid? |
| A: Polar surface area (PSA) of 3-Bromo-4-cyanobenzoic acid is 61.09000. |
| Q: What are the upstream materials of 3-Bromo-4-cyanobenzoic acid? |
| A: Related upstream materials(CAS) of 3-Bromo-4-cyanobenzoic acid: 362527-61-5. |
| Q: What English synonyms does 3-Bromo-4-cyanobenzoic acid have? |
| A: English synonyms of 3-Bromo-4-cyanobenzoic acid: 3-Brom-4-chlorthieno |
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. |