1-(4-nitrophenoxy)propan-2-one
1-(4-nitrophenoxy)propan-2-one structure
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Common Name | 1-(4-nitrophenoxy)propan-2-one | ||
|---|---|---|---|---|
| CAS Number | 6698-72-2 | Molecular Weight | 195.17200 | |
| Density | 1.255g/cm3 | Boiling Point | 341.8ºC at 760 mmHg | |
| Molecular Formula | C9H9NO4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 166.2ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-(4-nitrophenoxy)propan-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 | 1.255g/cm3 |
|---|---|
| Boiling Point | 341.8ºC at 760 mmHg |
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.17200 |
| Flash Point | 166.2ºC |
| Exact Mass | 195.05300 |
| PSA | 72.12000 |
| LogP | 2.08580 |
| Index of Refraction | 1.54 |
| InChIKey | BTPOVNGEGQQHIV-UHFFFAOYSA-N |
| SMILES | CC(=O)COc1ccc([N+](=O)[O-])cc1 |
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.
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~80%
1-(4-nitropheno... CAS#:6698-72-2 |
| Literature: Eisai Chemical Co., Ltd. Patent: US5565586 A1, 1996 ; |
|
~71%
1-(4-nitropheno... CAS#:6698-72-2 |
| Literature: Qu, Zhaohui; Shi, Weifeng; Wang, Jianbo Journal of Organic Chemistry, 2004 , vol. 69, # 1 p. 217 - 219 |
|
~%
1-(4-nitropheno... CAS#:6698-72-2 |
| Literature: Wyrick; Piantadosi Journal of Medicinal Chemistry, 1978 , vol. 21, # 4 p. 386 - 390 |
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~%
1-(4-nitropheno... CAS#:6698-72-2 |
| Literature: Wyrick; Piantadosi Journal of Medicinal Chemistry, 1978 , vol. 21, # 4 p. 386 - 390 |
|
~99%
1-(4-nitropheno... CAS#:6698-72-2 |
| Literature: Salunkhe, Deepak; Jagdale, Mansingrao; Mane, Ramchandra; Salunkhe, Manikrao Acta Chimica Hungarica, 1987 , vol. 124, # 3 p. 411 - 412 |
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~%
1-(4-nitropheno... CAS#:6698-72-2 |
| Literature: Tarbell Journal of Organic Chemistry, 1942 , vol. 7, p. 251,257 |
|
~%
1-(4-nitropheno... CAS#:6698-72-2 |
| Literature: Ohta; Sudoh Yakugaku Zasshi, 1950 , vol. 70, p. 305 Chem.Abstr., 1951 , p. 1579 |
|
~%
1-(4-nitropheno... CAS#:6698-72-2 |
| Literature: Prib,O.A.; Yasinskii,I.M. Journal of Organic Chemistry USSR (English Translation), 1971 , vol. 7, p. 342 - 344 Zhurnal Organicheskoi Khimii, 1971 , vol. 7, # 2 p. 348 - 350 |
|
~%
1-(4-nitropheno... CAS#:6698-72-2 |
| Literature: Stoermer; Brockerhof Chemische Berichte, 1897 , vol. 30, p. 1635 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 2 | |
CAS#:123-30-8![N-[4-(2-oxopropoxy)phenyl]acetamide structure](https://image.chemsrc.com/caspic/383/16956-23-3.png)
CAS#:16956-23-3This 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: Hypocholesteremic activity in Sprague-Dawley rat assessed as serum cholesterol level ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3254902
|
|
Name: Hypocholesteremic activity in Sprague-Dawley rat assessed as serum cholesterol level ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3254904
|
|
Name: Hypocholesteremic activity in Sprague-Dawley rat assessed as serum cholesterol level ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3254903
|
|
Name: Estrogenic activity in Sprague-Dawley rat at 10 mg/kg/day, po
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3254906
|
|
Name: Toxicity in Sprague-Dawley rat at 10 mg/kg/day, po
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3254905
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-nitrobenzyl acetate |
| 4-nitrophenoxyacetone |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 1-(4-nitrophenoxy)propan-2-one? |
| A: InChIKey of 1-(4-nitrophenoxy)propan-2-one is BTPOVNGEGQQHIV-UHFFFAOYSA-N. |
| Q: What is the English name of 1-(4-nitrophenoxy)propan-2-one? |
| A: The English name of 1-(4-nitrophenoxy)propan-2-one is 1-(4-nitrophenoxy)propan-2-one. |
| Q: What is the CAS number of 1-(4-nitrophenoxy)propan-2-one? |
| A: CAS number of 1-(4-nitrophenoxy)propan-2-one is 6698-72-2. |
| Q: What is the molecular weight of 1-(4-nitrophenoxy)propan-2-one? |
| A: Molecular weight of 1-(4-nitrophenoxy)propan-2-one is 195.17200. |
| Q: What is the molecular formula of 1-(4-nitrophenoxy)propan-2-one? |
| A: Molecular formula of 1-(4-nitrophenoxy)propan-2-one is C9H9NO4. |
| Q: What are the downstream products of 1-(4-nitrophenoxy)propan-2-one? |
| A: Related downstream products(CAS) of 1-(4-nitrophenoxy)propan-2-one: 123-30-8;16956-23-3. |
| Q: What English synonyms does 1-(4-nitrophenoxy)propan-2-one have? |
| A: English synonyms of 1-(4-nitrophenoxy)propan-2-one: 4-nitrobenzyl acetate, 4-nitrophenoxyacetone. |
| Q: What is the boiling point of 1-(4-nitrophenoxy)propan-2-one? |
| A: Boiling point of 1-(4-nitrophenoxy)propan-2-one is 341.8ºC at 760 mmHg. |
| Q: What is the SMILES notation of 1-(4-nitrophenoxy)propan-2-one? |
| A: SMILES notation of 1-(4-nitrophenoxy)propan-2-one is CC(=O)COc1ccc([N+](=O)[O-])cc1. |
| Q: What is the polar surface area (PSA) of 1-(4-nitrophenoxy)propan-2-one? |
| A: Polar surface area (PSA) of 1-(4-nitrophenoxy)propan-2-one is 72.12000. |
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. |