3-bromooctan-2-one
3-bromooctan-2-one structure
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Common Name | 3-bromooctan-2-one | ||
|---|---|---|---|---|
| CAS Number | 51134-60-2 | Molecular Weight | 207.10800 | |
| Density | 1.209g/cm3 | Boiling Point | 226.9ºC at 760mmHg | |
| Molecular Formula | C8H15BrO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 32.8ºC | |
Summary: 3-Bromooctan-2-one (Chinese name: 3-溴辛-2-酮，CAS number: 51134-60-2)，molecular formula C8H15BrO, molecular weight 207.11, density 1.209g/cm³. 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-bromooctan-2-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 | 1.209g/cm3 |
|---|---|
| Boiling Point | 226.9ºC at 760mmHg |
| Molecular Formula | C8H15BrO |
| Molecular Weight | 207.10800 |
| Flash Point | 32.8ºC |
| Exact Mass | 206.03100 |
| PSA | 17.07000 |
| LogP | 2.91920 |
| Index of Refraction | 1.459 |
| InChIKey | RXVLGSOXBONDHK-UHFFFAOYSA-N |
| SMILES | CCCCCC(Br)C(C)=O |
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.
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~89%
3-bromooctan-2-one CAS#:51134-60-2 |
| Literature: Armani, E.; Dossena, A.; Marchelli, R.; Casnati, G. Tetrahedron, 1984 , vol. 40, # 11 p. 2035 - 2040 |
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~75%
3-bromooctan-2-one CAS#:51134-60-2 |
| Literature: Kapustina; Sokova; Gasanov; Nikishin Russian Chemical Bulletin, 2007 , vol. 56, # 8 p. 1501 - 1506 |
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3-bromooctan-2-one CAS#:51134-60-2 |
| Literature: Zav'yalov, S. I.; Ezhova, G. I.; Sitkareva, I. V.; Dorofeeva, O. V.; Zavozin, A. G.; Rumyantseva, E. E. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1989 , vol. 38, # 10 p. 2204 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1989 , # 10 p. 2392 - 2393 |
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3-bromooctan-2-one CAS#:51134-60-2 |
| Literature: Kirrmann,A.; Nouri-Bimorghi,R. Bulletin de la Societe Chimique de France, 1968 , p. 3213 - 3220 |
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3-bromooctan-2-one CAS#:51134-60-2 |
| Literature: Torii, Sigeru; Inokuchi, Tsutomu; Misima, Seiji; Kobayashi, Takesi Journal of Organic Chemistry, 1980 , vol. 45, # 13 p. 2731 - 2735 |
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3-bromooctan-2-one CAS#:51134-60-2 |
| Literature: Tanke, Robin S.; Crabtree, Robert H. Tetrahedron Letters, 1988 , vol. 29, # 51 p. 6737 - 6740 |
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3-bromooctan-2-one CAS#:51134-60-2 |
| Literature: Miyaura,N. et al. Chemistry Letters, 1973 , p. 1145 - 1150 |
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3-bromooctan-2-one CAS#:51134-60-2 |
| Literature: Cardwell; Kilner Journal of the Chemical Society, 1951 , p. 2430,2440 |
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3-bromooctan-2-one CAS#:51134-60-2 |
| Literature: Temnikowa; Wechsler Zhurnal Obshchei Khimii, vol. 11, p. 4,5 Chem.Abstr., 1941 , p. 5459 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 5 | |
CAS#:21419-30-7
CAS#:73746-49-3
CAS#:99482-60-7
CAS#:63812-07-7This 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.
| EINECS 257-002-1 |
| 3-Bromo-2-oxooctane |
| 3-bromo-octan-2-one |
| 2-Octanone,3-bromo |
| 3-Brom-octan-2-on |
| 3-Bromo-2-octanone |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the Chinese name of 51134-60-2? |
| A: Chinese name of 51134-60-2 is 51134-60-2. |
| Q: What are the downstream products of 3-bromooctan-2-one? |
| A: Related downstream products(CAS) of 3-bromooctan-2-one: 21419-30-7;111-13-7;73746-49-3;99482-60-7;63812-07-7. |
| Q: What are the upstream materials of 3-bromooctan-2-one? |
| A: Related upstream materials(CAS) of 3-bromooctan-2-one: 111-13-7;4128-31-8;108-22-5;18402-82-9;122-56-5;78-94-4;7726-95-6;56-23-5. |
| Q: What is the SMILES notation of 3-bromooctan-2-one? |
| A: SMILES notation of 3-bromooctan-2-one is CCCCCC(Br)C(C)=O. |
| Q: What is the LogP of 3-bromooctan-2-one? |
| A: LogP of 3-bromooctan-2-one is 2.91920. |
| Q: What is the InChIKey of 3-bromooctan-2-one? |
| A: InChIKey of 3-bromooctan-2-one is RXVLGSOXBONDHK-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 3-bromooctan-2-one? |
| A: Molecular formula of 3-bromooctan-2-one is C8H15BrO. |
| Q: What is the CAS number of 3-bromooctan-2-one? |
| A: CAS number of 3-bromooctan-2-one is 51134-60-2. |
| Q: What is the molecular weight of 3-bromooctan-2-one? |
| A: Molecular weight of 3-bromooctan-2-one is 207.10800. |
| Q: What is the polar surface area (PSA) of 3-bromooctan-2-one? |
| A: Polar surface area (PSA) of 3-bromooctan-2-one is 17.07000. |