4-Nitroacetophenone
4-Nitroacetophenone structure
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Common Name | 4-Nitroacetophenone | ||
|---|---|---|---|---|
| CAS Number | 100-19-6 | Molecular Weight | 165.146 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 275.4±13.0 °C at 760 mmHg | |
| Molecular Formula | C8H7NO3 | Melting Point | 75-78 °C(lit.) | |
| MSDS | USA | Flash Point | 129.4±12.6 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-nitroacetophenone |
|---|---|
| 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 | 275.4±13.0 °C at 760 mmHg |
| Melting Point | 75-78 °C(lit.) |
| Molecular Formula | C8H7NO3 |
| Molecular Weight | 165.146 |
| Flash Point | 129.4±12.6 °C |
| Exact Mass | 165.042587 |
| PSA | 62.89000 |
| LogP | 1.42 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.558 |
| InChIKey | YQYGPGKTNQNXMH-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc([N+](=O)[O-])cc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xn: Harmful; |
| Risk Phrases | R36 |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | AM9627000 |
| HS Code | 29147090 |
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 10 | |
|---|---|
| DownStream 10 | |
CAS#:149104-90-5
CAS#:100-12-9
CAS#:937-31-5
CAS#:19935-81-0
CAS#:6531-13-1
CAS#:67395-06-6
CAS#:41780-82-9
CAS#:19073-15-5
CAS#:77635-72-4![Ethanone,1-(4-nitrophenyl)-, 2-[1-(4-nitrophenyl)ethylidene]hydrazone Structure](https://image.chemsrc.com/caspic/289/58896-24-5.png)
CAS#:58896-24-5
CAS#:108791-66-8
CAS#:106098-23-1![Ethanone,1-[4-(hydroxyamino)phenyl] structure](https://image.chemsrc.com/caspic/377/10517-47-2.png)
CAS#:10517-47-2
CAS#:99-92-3
CAS#:18179-86-7
CAS#:104755-32-0
CAS#:111358-84-0
CAS#:110944-98-4
CAS#:1000375-34-7This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Analysis of the Photodegradation of the Imidazolinone Herbicides Imazamox, Imazapic, Imazaquin, and Imazamethabenz-methyl in Aqueous Solution.
J. Agric. Food Chem. 63 , 10768-77, (2015) The photodegradation of the imidazolinone herbicides imazamox, imazapic, imazaquin, and imazamethabenz-methyl has been investigated in phosphate-buffered solutions and buffered solutions containing na... |
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[Semiconservative and unscheduled DNA-synthesis of rat thymocytes under the influence of some radioprotecting and radiosensitizing agents (author's transl)].
Strahlentherapie 158(2) , 112-22, (1982)
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Structure-reactivity effects on primary deuterium isotope effects on protonation of ring-substituted alpha-methoxystyrenes.
J. Am. Chem. Soc. 131(39) , 13952-62, (2009) Primary product isotope effects (PIEs) on L(+) and carboxylic acid catalyzed protonation of ring-substituted alpha-methoxystyrenes (X-1) to form oxocarbenium ions X-2(+) in 50/50 (v/v) HOH/DOD were ca... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4'-Nitroacetophenone |
| 1-(4-Nitrophenyl)ethanone |
| p-Nitroacetophenone |
| EINECS 202-827-4 |
| 4-Nitroacetophenone |
| MFCD00007355 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of 4-nitroacetophenone? |
| A: Melting point of 4-nitroacetophenone is 75-78 °C(lit.). |
| Q: What are the downstream products of 4-nitroacetophenone? |
| A: Related downstream products(CAS) of 4-nitroacetophenone: 108791-66-8;106098-23-1;10517-47-2;6531-13-1;99-92-3;18179-86-7;104755-32-0;111358-84-0;110944-98-4;1000375-34-7. |
| Q: What is the CAS number of 4-nitroacetophenone? |
| A: CAS number of 4-nitroacetophenone is 100-19-6. |
| Q: What is the SMILES notation of 4-nitroacetophenone? |
| A: SMILES notation of 4-nitroacetophenone is CC(=O)c1ccc([N+](=O)[O-])cc1. |
| Q: What are the upstream materials of 4-nitroacetophenone? |
| A: Related upstream materials(CAS) of 4-nitroacetophenone: 149104-90-5;100-12-9;937-31-5;19935-81-0;6531-13-1;67395-06-6;41780-82-9;19073-15-5;77635-72-4;58896-24-5. |
| Q: What is the LogP of 4-nitroacetophenone? |
| A: LogP of 4-nitroacetophenone is 1.42. |
| Q: What is the safety information for 4-nitroacetophenone? |
| A: Safety information for 4-nitroacetophenone: S22-S24/25. |
| Q: What is the polar surface area (PSA) of 4-nitroacetophenone? |
| A: Polar surface area (PSA) of 4-nitroacetophenone is 62.89000. |
| Q: What is the molecular weight of 4-nitroacetophenone? |
| A: Molecular weight of 4-nitroacetophenone is 165.146. |
| Q: What is the molecular formula of 4-nitroacetophenone? |
| A: Molecular formula of 4-nitroacetophenone is C8H7NO3. |
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. |
| Henan Tianfu Chemical Co., Ltd. |