6-Bromoisochroman-4-one
6-Bromoisochroman-4-one structure
|
Common Name | 6-Bromoisochroman-4-one | ||
|---|---|---|---|---|
| CAS Number | 676134-68-2 | Molecular Weight | 227.055 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 336.1±42.0 °C at 760 mmHg | |
| Molecular Formula | C9H7BrO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 157.1±27.9 °C | |
Summary: 6-Bromoisochroman-4-one (Chinese name: 6-溴-4-异二氢色原酮，CAS number: 676134-68-2)，molecular formula: C9H7BrO2，molecular weight: 227.055. 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 | 6-bromo-1H-isochromen-4-one |
|---|---|
| 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 | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 336.1±42.0 °C at 760 mmHg |
| Molecular Formula | C9H7BrO2 |
| Molecular Weight | 227.055 |
| Flash Point | 157.1±27.9 °C |
| Exact Mass | 225.962936 |
| PSA | 26.30000 |
| LogP | 2.15 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.599 |
| InChIKey | KOROTCDTJPLXMA-UHFFFAOYSA-N |
| SMILES | O=C1COCc2ccc(Br)cc21 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2932999099 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~88%
6-Bromoisochrom... CAS#:676134-68-2 |
| Literature: ELAN PHARMACEUTICALS, INC.; PHARMACIA and UP JOHN COMPANY Patent: WO2005/95326 A2, 2005 ; Location in patent: Page/Page column 162-163 ; WO 2005/095326 A2 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2932999099 |
|---|---|
| Summary | 2932999099. other heterocyclic compounds with oxygen 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.
| 6-Bromo-1,1-dimethyl-Isochroman-4-one |
| 6-Bromo-1H-isochromen-4(3H)-one |
| 1H-2-Benzopyran-4(3H)-one,6-bromo |
| 6-Bromo-4-Isochromanone |
| 6-Bromoisochroman-4-one |
| 6-bromanyl-1H-isochromen-4-one |
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 6-bromo-1H-isochromen-4-one? |
| A: Molecular weight of 6-bromo-1H-isochromen-4-one is 227.055. |
| Q: What is the boiling point of 6-bromo-1H-isochromen-4-one? |
| A: Boiling point of 6-bromo-1H-isochromen-4-one is 336.1±42.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of 6-bromo-1H-isochromen-4-one? |
| A: SMILES notation of 6-bromo-1H-isochromen-4-one is O=C1COCc2ccc(Br)cc21. |
| Q: What English synonyms does 6-bromo-1H-isochromen-4-one have? |
| A: English synonyms of 6-bromo-1H-isochromen-4-one: 6-Bromo-1,1-dimethyl-Isochroman-4-one, 6-Bromo-1H-isochromen-4(3H)-one, 1H-2-Benzopyran-4(3H)-one,6-bromo, 6-Bromo-4-Isochromanone, 6-Bromoisochroman-4-one, 6-bromanyl-1H-isochromen-4-one. |
| Q: What is the molecular formula of 6-bromo-1H-isochromen-4-one? |
| A: Molecular formula of 6-bromo-1H-isochromen-4-one is C9H7BrO2. |
| Q: What is the polar surface area (PSA) of 6-bromo-1H-isochromen-4-one? |
| A: Polar surface area (PSA) of 6-bromo-1H-isochromen-4-one is 26.30000. |
| Q: What is the CAS number of 6-bromo-1H-isochromen-4-one? |
| A: CAS number of 6-bromo-1H-isochromen-4-one is 676134-68-2. |
| Q: What is the English name of 6-bromo-1H-isochromen-4-one? |
| A: The English name of 6-bromo-1H-isochromen-4-one is 6-bromo-1H-isochromen-4-one. |
| Q: What is the InChIKey of 6-bromo-1H-isochromen-4-one? |
| A: InChIKey of 6-bromo-1H-isochromen-4-one is KOROTCDTJPLXMA-UHFFFAOYSA-N. |
| Q: What is the LogP of 6-bromo-1H-isochromen-4-one? |
| A: LogP of 6-bromo-1H-isochromen-4-one is 2.15. |
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. |