7-BroMo-4,4-diMethyl-1-tetralone
7-BroMo-4,4-diMethyl-1-tetralone structure
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Common Name | 7-BroMo-4,4-diMethyl-1-tetralone | ||
|---|---|---|---|---|
| CAS Number | 166978-46-7 | Molecular Weight | 253.13500 | |
| Density | 1.351g/cm3 | Boiling Point | 325.6ºC at 760mmHg | |
| Molecular Formula | C12H13BrO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 68.2ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 7-Bromo-4,4-dimethyl-1-tetralone |
|---|---|
| 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 | 1.351g/cm3 |
|---|---|
| Boiling Point | 325.6ºC at 760mmHg |
| Molecular Formula | C12H13BrO |
| Molecular Weight | 253.13500 |
| Flash Point | 68.2ºC |
| Exact Mass | 252.01500 |
| PSA | 17.07000 |
| LogP | 3.70320 |
| Vapour Pressure | 0mmHg at 25°C |
| Index of Refraction | 1.556 |
| InChIKey | QZSBQGIPLDEDIX-UHFFFAOYSA-N |
| SMILES | CC1(C)CCC(=O)c2cc(Br)ccc21 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2914700090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~77%
7-BroMo-4,4-diM... CAS#:166978-46-7 |
| Literature: Johnson; Klein; Gillett; Wang; Song; Pino; Chandraratna Journal of Medicinal Chemistry, 1995 , vol. 38, # 24 p. 4764 - 4767 Title/Abstract Full Text View citing articles Show Details Johnson, Alan T.; Wang, Liming; Gillett, Samuel J.; Chandraratna, Roshantha A. S. Bioorganic and Medicinal Chemistry Letters, 1999 , vol. 9, # 4 p. 573 - 576 |
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~%
7-BroMo-4,4-diM... CAS#:166978-46-7 |
| Literature: US6025388 A1, ; |
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~0%
7-BroMo-4,4-diM... CAS#:166978-46-7 |
| Literature: Bristol-Myers Squibb Co. Patent: US5648385 A1, 1997 ; |
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~%
7-BroMo-4,4-diM... CAS#:166978-46-7 |
| Literature: Journal of Medicinal Chemistry, , vol. 41, # 9 p. 1476 - 1496 |
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~%
7-BroMo-4,4-diM... CAS#:166978-46-7 |
| Literature: Journal of Medicinal Chemistry, , vol. 41, # 9 p. 1476 - 1496 |
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~80%
7-BroMo-4,4-diM... CAS#:166978-46-7 |
| Literature: Allergan Sales, Inc. Patent: US5958954 A1, 1999 ; US 5958954 A |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 5 | |
CAS#:171568-43-7
CAS#:171568-44-8![4-[2-(5,6,7,8-Tetrahydro-5,5-dimethyl-8-oxo-2-naphthalenyl)ethynyl]benzoic Acid Ethyl Ester structure](https://image.chemsrc.com/caspic/196/166978-49-0.png)
CAS#:166978-49-0
CAS#:166978-48-9
CAS#:201142-10-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914700090 |
|---|---|
| Summary | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 7-Bromo-4,4-dimethyl-1-tetralone? |
| A: LogP of 7-Bromo-4,4-dimethyl-1-tetralone is 3.70320. |
| Q: What is the CAS number of 7-Bromo-4,4-dimethyl-1-tetralone? |
| A: CAS number of 7-Bromo-4,4-dimethyl-1-tetralone is 166978-46-7. |
| Q: What is the molecular weight of 7-Bromo-4,4-dimethyl-1-tetralone? |
| A: Molecular weight of 7-Bromo-4,4-dimethyl-1-tetralone is 253.13500. |
| Q: What is the molecular formula of 7-Bromo-4,4-dimethyl-1-tetralone? |
| A: Molecular formula of 7-Bromo-4,4-dimethyl-1-tetralone is C12H13BrO. |
| Q: What are the upstream materials of 7-Bromo-4,4-dimethyl-1-tetralone? |
| A: Related upstream materials(CAS) of 7-Bromo-4,4-dimethyl-1-tetralone: 2979-69-3;75-09-2;7787-70-4;3123-97-5;71-43-2. |
| Q: What is the SMILES notation of 7-Bromo-4,4-dimethyl-1-tetralone? |
| A: SMILES notation of 7-Bromo-4,4-dimethyl-1-tetralone is CC1(C)CCC(=O)c2cc(Br)ccc21. |
| Q: What is the polar surface area (PSA) of 7-Bromo-4,4-dimethyl-1-tetralone? |
| A: Polar surface area (PSA) of 7-Bromo-4,4-dimethyl-1-tetralone is 17.07000. |
| Q: What English synonyms does 7-Bromo-4,4-dimethyl-1-tetralone have? |
| A: English synonyms of 7-Bromo-4,4-dimethyl-1-tetralone: 7-bromo-4,4-dimethyl-2,3-dihydronaphthalen-1-one. |
| Q: What is the English name of 7-Bromo-4,4-dimethyl-1-tetralone? |
| A: The English name of 7-Bromo-4,4-dimethyl-1-tetralone is 7-Bromo-4,4-dimethyl-1-tetralone. |
| Q: What is the boiling point of 7-Bromo-4,4-dimethyl-1-tetralone? |
| A: Boiling point of 7-Bromo-4,4-dimethyl-1-tetralone is 325.6ºC at 760mmHg. |
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. |