3-Bromo-4-methoxybenzyl Cyanide
3-Bromo-4-methoxybenzyl Cyanide structure
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Common Name | 3-Bromo-4-methoxybenzyl Cyanide | ||
|---|---|---|---|---|
| CAS Number | 772-59-8 | Molecular Weight | 226.07000 | |
| Density | 1.45g/cm3 | Boiling Point | 175-178°C 6mm | |
| Molecular Formula | C9H8BrNO | Melting Point | 50-53°C | |
| MSDS | Chinese | Flash Point | 175-178°C/6mm | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Bromo-4-methoxyphenylacetonitrile |
|---|---|
| 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 | 1.45g/cm3 |
|---|---|
| Boiling Point | 175-178°C 6mm |
| Melting Point | 50-53°C |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.07000 |
| Flash Point | 175-178°C/6mm |
| Exact Mass | 224.97900 |
| PSA | 33.02000 |
| LogP | 2.52378 |
| Index of Refraction | 1.555 |
| InChIKey | OBJKHHRZMIIEOK-UHFFFAOYSA-N |
| SMILES | COc1ccc(CC#N)cc1Br |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| Risk Phrases | R22 |
| Safety Phrases | S22-S36/37 |
| RIDADR | 3276 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2926909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3-Bromo-4-metho... CAS#:772-59-8 |
| Literature: WO2009/69044 A1, ; Page/Page column 132 ; WO 2009/069044 A1 |
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3-Bromo-4-metho... CAS#:772-59-8 |
| Literature: Journal of the Chemical Society, , p. 1780,1782 |
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3-Bromo-4-metho... CAS#:772-59-8 |
| Literature: Journal of the Chemical Society, , p. 1780,1782 |
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3-Bromo-4-metho... CAS#:772-59-8 |
| Literature: Journal of the Chemical Society, , p. 1780,1782 |
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3-Bromo-4-metho... CAS#:772-59-8 |
| Literature: Journal of the Chemical Society [Section] C: Organic, , p. 2234 - 2238 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 2 | |
CAS#:774-81-2
CAS#:159465-27-7This 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.
| MFCD00016391 |
| 2-(3-bromo-4-methoxyphenyl)acetonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 3-Bromo-4-methoxyphenylacetonitrile? |
| A: Molecular weight of 3-Bromo-4-methoxyphenylacetonitrile is 226.07000. |
| Q: What is the safety information for 3-Bromo-4-methoxyphenylacetonitrile? |
| A: Safety information for 3-Bromo-4-methoxyphenylacetonitrile: S22-S36/37. |
| Q: What is the CAS number of 3-Bromo-4-methoxyphenylacetonitrile? |
| A: CAS number of 3-Bromo-4-methoxyphenylacetonitrile is 772-59-8. |
| Q: What is the SMILES notation of 3-Bromo-4-methoxyphenylacetonitrile? |
| A: SMILES notation of 3-Bromo-4-methoxyphenylacetonitrile is COc1ccc(CC#N)cc1Br. |
| Q: What is the LogP of 3-Bromo-4-methoxyphenylacetonitrile? |
| A: LogP of 3-Bromo-4-methoxyphenylacetonitrile is 2.52378. |
| Q: What is the InChIKey of 3-Bromo-4-methoxyphenylacetonitrile? |
| A: InChIKey of 3-Bromo-4-methoxyphenylacetonitrile is OBJKHHRZMIIEOK-UHFFFAOYSA-N. |
| Q: What English synonyms does 3-Bromo-4-methoxyphenylacetonitrile have? |
| A: English synonyms of 3-Bromo-4-methoxyphenylacetonitrile: MFCD00016391, 2-(3-bromo-4-methoxyphenyl)acetonitrile. |
| Q: What is the English name of 3-Bromo-4-methoxyphenylacetonitrile? |
| A: The English name of 3-Bromo-4-methoxyphenylacetonitrile is 3-Bromo-4-methoxyphenylacetonitrile. |
| Q: What are the upstream materials of 3-Bromo-4-methoxyphenylacetonitrile? |
| A: Related upstream materials(CAS) of 3-Bromo-4-methoxyphenylacetonitrile: 89978-72-3;143-33-9;34841-06-0;38493-59-3;701-94-0;151-50-8;123-11-5. |
| Q: What is the polar surface area (PSA) of 3-Bromo-4-methoxyphenylacetonitrile? |
| A: Polar surface area (PSA) of 3-Bromo-4-methoxyphenylacetonitrile is 33.02000. |
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. |