1-(2-Chlorophenyl)-1,3-butanedione
1-(2-Chlorophenyl)-1,3-butanedione structure
|
Common Name | 1-(2-Chlorophenyl)-1,3-butanedione | ||
|---|---|---|---|---|
| CAS Number | 56464-74-5 | Molecular Weight | 196.630 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 273.0±15.0 °C at 760 mmHg | |
| Molecular Formula | C10H9ClO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 113.3±21.0 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-(2-chlorophenyl)butane-1,3-dione |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 273.0±15.0 °C at 760 mmHg |
| Molecular Formula | C10H9ClO2 |
| Molecular Weight | 196.630 |
| Flash Point | 113.3±21.0 °C |
| Exact Mass | 196.029114 |
| PSA | 34.14000 |
| LogP | 2.94 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.531 |
| InChIKey | CYPYOGOPKDBEFY-UHFFFAOYSA-N |
| SMILES | CC(=O)CC(=O)c1ccccc1Cl |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2914700090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~%
1-(2-Chlorophen... CAS#:56464-74-5 |
| Literature: SmithKline Beecham Corporation Patent: US6498174 B1, 2002 ; |
|
~97%
1-(2-Chlorophen... CAS#:56464-74-5 |
| Literature: Bartlett, Samuel L.; Beaudry, Christopher M. Journal of Organic Chemistry, 2011 , vol. 76, # 23 p. 9852 - 9855 |
|
~92%
1-(2-Chlorophen... CAS#:56464-74-5 |
| Literature: Shen, Zongxuan; Li, Bin; Wang, Lu; Zhang, Yawen Tetrahedron Letters, 2005 , vol. 46, # 50 p. 8785 - 8788 |
|
~%
1-(2-Chlorophen... CAS#:56464-74-5 |
| Literature: Shen, Zongxuan; Li, Bin; Wang, Lu; Zhang, Yawen Tetrahedron Letters, 2005 , vol. 46, # 50 p. 8785 - 8788 |
|
~%
1-(2-Chlorophen... CAS#:56464-74-5 |
| Literature: Walker, Michael A.; Johnson, Timothy; Ma, Zhuping; Banville, Jacques; Remillard, Roger; Kim, Oak; Zhang, Yunhui; Staab, Andrew; Wong, Henry; Torri, Albert; Samanta, Himadri; Lin, Zeyu; Deminie, Carol; Terry, Brian; Krystal, Mark; Meanwell, Nicholas Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 11 p. 2920 - 2924 |
|
~%
1-(2-Chlorophen... CAS#:56464-74-5 |
| Literature: Korsager, Signe; Nielsen, Dennis U.; Taaning, Rolf H.; Lindhardt, Anders T.; Skrydstrup, Troels Chemistry - A European Journal, 2013 , vol. 19, # 52 p. 17687 - 17691 |
This 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.
| 1-(2-Chlorophenyl)-1,3-butanedione |
| o-chlorobenzoylacetone |
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 1-(2-chlorophenyl)butane-1,3-dione? |
| A: Molecular weight of 1-(2-chlorophenyl)butane-1,3-dione is 196.630. |
| Q: What is the molecular formula of 1-(2-chlorophenyl)butane-1,3-dione? |
| A: Molecular formula of 1-(2-chlorophenyl)butane-1,3-dione is C10H9ClO2. |
| Q: What English synonyms does 1-(2-chlorophenyl)butane-1,3-dione have? |
| A: English synonyms of 1-(2-chlorophenyl)butane-1,3-dione: 1-(2-Chlorophenyl)-1,3-butanedione, o-chlorobenzoylacetone. |
| Q: What is the polar surface area (PSA) of 1-(2-chlorophenyl)butane-1,3-dione? |
| A: Polar surface area (PSA) of 1-(2-chlorophenyl)butane-1,3-dione is 34.14000. |
| Q: What is the InChIKey of 1-(2-chlorophenyl)butane-1,3-dione? |
| A: InChIKey of 1-(2-chlorophenyl)butane-1,3-dione is CYPYOGOPKDBEFY-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 1-(2-chlorophenyl)butane-1,3-dione? |
| A: SMILES notation of 1-(2-chlorophenyl)butane-1,3-dione is CC(=O)CC(=O)c1ccccc1Cl. |
| Q: What is the English name of 1-(2-chlorophenyl)butane-1,3-dione? |
| A: The English name of 1-(2-chlorophenyl)butane-1,3-dione is 1-(2-chlorophenyl)butane-1,3-dione. |
| Q: What is the LogP of 1-(2-chlorophenyl)butane-1,3-dione? |
| A: LogP of 1-(2-chlorophenyl)butane-1,3-dione is 2.94. |
| Q: What is the boiling point of 1-(2-chlorophenyl)butane-1,3-dione? |
| A: Boiling point of 1-(2-chlorophenyl)butane-1,3-dione is 273.0±15.0 °C at 760 mmHg. |
| Q: What is the CAS number of 1-(2-chlorophenyl)butane-1,3-dione? |
| A: CAS number of 1-(2-chlorophenyl)butane-1,3-dione is 56464-74-5. |
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. |