Introduction：Basic information about CAS 5435-66-5|1,3-Butanedione,1-(3-nitrophenyl)-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,3-Butanedione,1-(3-nitrophenyl)- |
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| CAS Number | 5435-66-5 | Molecular Weight | 207.18300 |
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| Density | 1.271g/cm3 | Boiling Point | 311ºC at 760mmHg |
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| Molecular Formula | C10H9NO4 | Melting Point | / |
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| MSDS | / | Flash Point | 141.5ºC |
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Names
| Name | 1-(3-nitrophenyl)butane-1,3-dione |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.271g/cm3 |
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| Boiling Point | 311ºC at 760mmHg |
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| Molecular Formula | C10H9NO4 |
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| Molecular Weight | 207.18300 |
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| Flash Point | 141.5ºC |
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| Exact Mass | 207.05300 |
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| PSA | 79.96000 |
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| LogP | 2.27980 |
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| Index of Refraction | 1.552 |
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| InChIKey | LENGHKYAWBMFDH-UHFFFAOYSA-N |
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| SMILES | CC(=O)CC(=O)c1cccc([N+](=O)[O-])c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EK3513400
- CHEMICAL NAME :
- 1,3-Butanedione, 1-(3-nitrophenyl)-
- CAS REGISTRY NUMBER :
- 5435-66-5
- BEILSTEIN REFERENCE NO. :
- 2112278
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H9-N-O4
- MOLECULAR WEIGHT :
- 207.20
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,54,1954
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Safety Information
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-Nitro-benzoylaceton |
| 3-nitrobenzoylacetone |
