Introduction：Basic information about CAS 838-57-3|Ethyl 3-(4-nitrophenyl)-3-oxopropanoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Ethyl 3-(4-nitrophenyl)-3-oxopropanoate |
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| CAS Number | 838-57-3 | Molecular Weight | 237.209 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 344.7±17.0 °C at 760 mmHg |
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| Molecular Formula | C11H11NO5 | Melting Point | 67-71 °C |
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| MSDS | ChineseUSA | Flash Point | 149.6±22.9 °C |
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Names
| Name | ethyl 4-nitrobenzoylacetate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 344.7±17.0 °C at 760 mmHg |
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| Melting Point | 67-71 °C |
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| Molecular Formula | C11H11NO5 |
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| Molecular Weight | 237.209 |
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| Flash Point | 149.6±22.9 °C |
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| Exact Mass | 237.063721 |
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| PSA | 89.19000 |
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| LogP | 1.63 |
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| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
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| Index of Refraction | 1.542 |
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| InChIKey | NGRXSVFCLHVGKU-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AJ1073500
- CHEMICAL NAME :
- Acetic acid, (p-nitrobenzoyl)-, ethyl ester
- CAS REGISTRY NUMBER :
- 838-57-3
- BEILSTEIN REFERENCE NO. :
- 1124763
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C11-H11-N-O5
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 8620 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(1),79,1986
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Safety Information
| Hazard Codes | Xi |
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| Risk Phrases | 36/37/38 |
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| Safety Phrases | S24/25 |
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| RIDADR | NONH for all modes of transport |
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| RTECS | AJ1073500 |
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| HS Code | 2918300090 |
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Customs
| HS Code | 2918300090 |
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| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
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Synonyms
| MFCD00007357 |
| EINECS 212-656-7 |
| Benzenepropanoic acid, 4-nitro-β-oxo-, ethyl ester |
| Ethyl 3-(4-nitrophenyl)-3-oxopropanoate |
