(1S)-1-chloro-1-phenylpropan-2-one
(1S)-1-chloro-1-phenylpropan-2-one structure
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Common Name | (1S)-1-chloro-1-phenylpropan-2-one | ||
|---|---|---|---|---|
| CAS Number | 4773-35-7 | Molecular Weight | 168.62000 | |
| Density | 1.139g/cm3 | Boiling Point | 228.1ºC at 760 mmHg | |
| Molecular Formula | C9H9ClO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 112.8ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (1S)-1-chloro-1-phenylpropan-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 | 1.139g/cm3 |
|---|---|
| Boiling Point | 228.1ºC at 760 mmHg |
| Molecular Formula | C9H9ClO |
| Molecular Weight | 168.62000 |
| Flash Point | 112.8ºC |
| Exact Mass | 168.03400 |
| PSA | 17.07000 |
| LogP | 2.55550 |
| Index of Refraction | 1.524 |
| InChIKey | KFPLPFVPPOJDFF-UHFFFAOYSA-N |
| SMILES | CC(=O)C(Cl)c1ccccc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2914700090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 10 | |
CAS#:103-79-7
CAS#:22596-45-8
CAS#:86396-63-6
CAS#:98-87-3
CAS#:108-24-7
CAS#:13213-36-0
CAS#:6202-57-9
CAS#:56955-33-0
CAS#:4518-66-5
CAS#:103-25-3
CAS#:73611-98-0
CAS#:501-52-0
CAS#:579-07-7
CAS#:30709-67-2
CAS#:28241-62-5
CAS#:781-35-1
CAS#:3280-08-8This 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 contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-Chloro-1-phenylacetone |
| 1-phenyl-1-chloro-2-propanone |
| 1-chloro-1-phenylpropan-2-one |
| 1-chloro-1-phenyl-2-propanone |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of (1S)-1-chloro-1-phenylpropan-2-one? |
| A: Related upstream materials(CAS) of (1S)-1-chloro-1-phenylpropan-2-one: 103-79-7;22596-45-8;86396-63-6;98-87-3;108-24-7;13213-36-0;6202-57-9;56955-33-0. |
| Q: What is the polar surface area (PSA) of (1S)-1-chloro-1-phenylpropan-2-one? |
| A: Polar surface area (PSA) of (1S)-1-chloro-1-phenylpropan-2-one is 17.07000. |
| Q: What is the LogP of (1S)-1-chloro-1-phenylpropan-2-one? |
| A: LogP of (1S)-1-chloro-1-phenylpropan-2-one is 2.55550. |
| Q: What is the molecular formula of (1S)-1-chloro-1-phenylpropan-2-one? |
| A: Molecular formula of (1S)-1-chloro-1-phenylpropan-2-one is C9H9ClO. |
| Q: What is the SMILES notation of (1S)-1-chloro-1-phenylpropan-2-one? |
| A: SMILES notation of (1S)-1-chloro-1-phenylpropan-2-one is CC(=O)C(Cl)c1ccccc1. |
| Q: What is the molecular weight of (1S)-1-chloro-1-phenylpropan-2-one? |
| A: Molecular weight of (1S)-1-chloro-1-phenylpropan-2-one is 168.62000. |
| Q: What is the boiling point of (1S)-1-chloro-1-phenylpropan-2-one? |
| A: Boiling point of (1S)-1-chloro-1-phenylpropan-2-one is 228.1ºC at 760 mmHg. |
| Q: What is the InChIKey of (1S)-1-chloro-1-phenylpropan-2-one? |
| A: InChIKey of (1S)-1-chloro-1-phenylpropan-2-one is KFPLPFVPPOJDFF-UHFFFAOYSA-N. |
| Q: What English synonyms does (1S)-1-chloro-1-phenylpropan-2-one have? |
| A: English synonyms of (1S)-1-chloro-1-phenylpropan-2-one: 1-Chloro-1-phenylacetone, 1-phenyl-1-chloro-2-propanone, 1-chloro-1-phenylpropan-2-one, 1-chloro-1-phenyl-2-propanone. |
| Q: What is the CAS number of (1S)-1-chloro-1-phenylpropan-2-one? |
| A: CAS number of (1S)-1-chloro-1-phenylpropan-2-one is 4773-35-7. |