Introduction：Basic information about CAS 121-89-1|3'-Nitroacetophenone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3'-Nitroacetophenone |
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| CAS Number | 121-89-1 | Molecular Weight | 165.146 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 237.3±13.0 °C at 760 mmHg |
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| Molecular Formula | C8H7NO3 | Melting Point | 76-78 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 99.9±12.6 °C |
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Names
| Name | 3-Nitroacetophenone |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 237.3±13.0 °C at 760 mmHg |
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| Melting Point | 76-78 °C(lit.) |
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| Molecular Formula | C8H7NO3 |
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| Molecular Weight | 165.146 |
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| Flash Point | 99.9±12.6 °C |
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| Exact Mass | 165.042587 |
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| PSA | 62.89000 |
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| LogP | 1.49 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.558 |
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| InChIKey | ARKIFHPFTHVKDT-UHFFFAOYSA-N |
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| SMILES | CC(=O)c1cccc([N+](=O)[O-])c1 |
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| Stability | Stable. Incompatible with strong oxidizing agents, strong bases. |
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| Water Solubility | <0.01 g/100 mL at 20 ºC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AM9625000
- CHEMICAL NAME :
- Acetophenone, 3'-nitro-
- CAS REGISTRY NUMBER :
- 121-89-1
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C8-H7-N-O3
- MOLECULAR WEIGHT :
- 165.16
- WISWESSER LINE NOTATION :
- WNR CV1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 3 mL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 1 mg/plate
- REFERENCE :
- ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 9(Suppl 9),1,1987
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| Hazard Codes | Xn:Harmful |
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| Risk Phrases | R21 |
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| Safety Phrases | 22-24/25 |
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| RIDADR | UN 2735 8/PG 3 |
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| WGK Germany | 2 |
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| RTECS | AM9625000 |
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| Packaging Group | III |
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| Hazard Class | 8 |
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| HS Code | 29147090 |
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Customs
| HS Code | 2914700090 |
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| 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% |
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Synonyms
| 3’-Nitroacetophenone |
| MFCD00007259 |
| Ethanone, 1-(3-nitrophenyl)- |
| 1-(3-Nitrophenyl)ethanone |
| 3'-Nitroacetophenone |
| m-Nitroacetophenone |
| 3-Nitroacetophenone |
| EINECS 204-504-3 |
