Introduction：Basic information about CAS 577-59-3|2′-Nitroacetophenone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2′-Nitroacetophenone |
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| CAS Number | 577-59-3 | Molecular Weight | 165.146 |
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| Density | 1.23 | Boiling Point | 286.4±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 | 137.8±12.6 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 2-Nitroacetophenone |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.23 |
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| Boiling Point | 286.4±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 | 137.8±12.6 °C |
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| Exact Mass | 165.042587 |
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| PSA | 62.89000 |
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| LogP | 1.28 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.558 |
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| InChIKey | SUGXZLKUDLDTKX-UHFFFAOYSA-N |
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| SMILES | CC(=O)c1ccccc1[N+](=O)[O-] |
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| Storage condition | Refrigerator |
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| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
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| Water Solubility | Insoluble |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AM9600000
- CHEMICAL NAME :
- Acetophenone, 2'-nitro-
- CAS REGISTRY NUMBER :
- 577-59-3
- BEILSTEIN REFERENCE NO. :
- 1102322
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C8-H7-N-O3
- MOLECULAR WEIGHT :
- 165.16
- WISWESSER LINE NOTATION :
- WNR BV1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1600 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 :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 800 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 :
- Mammal - species unspecified
- DOSE/DURATION :
- >20 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- DNA repair
- TEST SYSTEM :
- Bacteria - Bacillus subtilis
- DOSE/DURATION :
- 5 uL/disc
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 170,11,1986
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H302 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R22 |
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| Safety Phrases | S22-S24/25 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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| RTECS | AM9625000 |
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| Packaging Group | III |
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| Hazard Class | 6.1 |
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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
| 1-(2-Nitrophenyl)ethan-1-one |
| 2-Nitroacetophene |
| O-NITROACETOPHENONE |
| 1-(2-Nitrophenyl)ethanone |
| o-Acetylnitrobenzene |
| 2-Acetylnitrobenzene |
| 2`-Nitroacetophenone |
| MFCD00007259 |
| 1-(2-Nitrophenyl)-1-ethanone |
| WNR BV1 |
| EINECS 209-414-8 |
| o-Nitrophenyl methyl ketone |
| 2-nitrophenylacetoaldehyde |
| Ethanone, 1-(2-nitrophenyl)- |
| 1-Acetyl-2-nitrobenzene |
| 2′-Nitroacetophenone |
| Methyl 2-nitrophenyl ketone |
| o-Nitroacetylbenzene |
| 2'-Nitroacetophenone |
| Acetophenone, 2'-nitro- |
| 2'-METHYLBIPHENYL-2-CARBOXYLIC ACID |
