4-(3-nitrophenyl)butan-2-one
4-(3-nitrophenyl)butan-2-one structure
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Common Name | 4-(3-nitrophenyl)butan-2-one | ||
|---|---|---|---|---|
| CAS Number | 3506-81-8 | Molecular Weight | 193.19900 | |
| Density | 1.176g/cm3 | Boiling Point | 321.2ºC at 760 mmHg | |
| Molecular Formula | C10H11NO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 149.8ºC | |
Summary: 4-(3-nitrophenyl)butan-2-one (Chinese name: 4-(3-硝基苯基)丁-2-酮), CAS: 3506-81-8, has a molecular formula of C10H11NO3 and a molecular weight of 193.19900. It should be stored at room temperature. 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 | 4-(3-nitrophenyl)butan-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 | 1.176g/cm3 |
|---|---|
| Boiling Point | 321.2ºC at 760 mmHg |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.19900 |
| Flash Point | 149.8ºC |
| Exact Mass | 193.07400 |
| PSA | 62.89000 |
| LogP | 2.63960 |
| Index of Refraction | 1.541 |
| InChIKey | VYVUFYWGUYOWTO-UHFFFAOYSA-N |
| SMILES | CC(=O)CCc1cccc([N+](=O)[O-])c1 |
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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~76%
4-(3-nitropheny... CAS#:3506-81-8 |
| Literature: Amer, Ibrahim; Bravdo, Tamar; Blum, Jochanan; Vollhardt, K. Peter C. Tetrahedron Letters, 1987 , vol. 28, # 12 p. 1321 - 1322 |
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~%
4-(3-nitropheny... CAS#:3506-81-8 |
| Literature: Batey, Robert A.; Thadani, Avinash N.; Smil, David V. Organic Letters, 1999 , vol. 1, # 10 p. 1683 - 1686 |
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~%
4-(3-nitropheny... CAS#:3506-81-8 |
| Literature: Boatman,S. et al. Journal of Organic Chemistry, 1965 , vol. 30, p. 3321 - 3324 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
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.
| 4-(3-nitrophenyl)-2-butanone |
| 3-Nitro-benzylaceton |
| m-Nitrobenzylaceton |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 4-(3-nitrophenyl)butan-2-one? |
| A: Polar surface area (PSA) of 4-(3-nitrophenyl)butan-2-one is 62.89000. |
| Q: What is the molecular formula of 4-(3-nitrophenyl)butan-2-one? |
| A: Molecular formula of 4-(3-nitrophenyl)butan-2-one is C10H11NO3. |
| Q: What are the upstream materials of 4-(3-nitrophenyl)butan-2-one? |
| A: Related upstream materials(CAS) of 4-(3-nitrophenyl)butan-2-one: 946-68-9;13331-27-6;123-54-6;619-23-8. |
| Q: What is the English name of 4-(3-nitrophenyl)butan-2-one? |
| A: The English name of 4-(3-nitrophenyl)butan-2-one is 4-(3-nitrophenyl)butan-2-one. |
| Q: What is the SMILES notation of 4-(3-nitrophenyl)butan-2-one? |
| A: SMILES notation of 4-(3-nitrophenyl)butan-2-one is CC(=O)CCc1cccc([N+](=O)[O-])c1. |
| Q: What is the InChIKey of 4-(3-nitrophenyl)butan-2-one? |
| A: InChIKey of 4-(3-nitrophenyl)butan-2-one is VYVUFYWGUYOWTO-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 4-(3-nitrophenyl)butan-2-one? |
| A: Molecular weight of 4-(3-nitrophenyl)butan-2-one is 193.19900. |
| Q: What English synonyms does 4-(3-nitrophenyl)butan-2-one have? |
| A: English synonyms of 4-(3-nitrophenyl)butan-2-one: 4-(3-nitrophenyl)-2-butanone, 3-Nitro-benzylaceton, m-Nitrobenzylaceton. |
| Q: What is the boiling point of 4-(3-nitrophenyl)butan-2-one? |
| A: Boiling point of 4-(3-nitrophenyl)butan-2-one is 321.2ºC at 760 mmHg. |
| Q: What is the LogP of 4-(3-nitrophenyl)butan-2-one? |
| A: LogP of 4-(3-nitrophenyl)butan-2-one is 2.63960. |
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. |