Introduction:Basic information about CAS 1421-63-2|2,4,5-trihydroxybutyrophenone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,4,5-trihydroxybutyrophenone |
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| CAS Number | 1421-63-2 | Molecular Weight | 196.20000 |
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| Density | 1.2166 (rough estimate) | Boiling Point | 293.08°C (rough estimate) |
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| Molecular Formula | C10H12O4 | Melting Point | 151-152 ℃ |
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| MSDS | / | Flash Point | / |
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Names
| Name | 1-(2,4,5-trihydroxyphenyl)butan-1-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2166 (rough estimate) |
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| Boiling Point | 293.08°C (rough estimate) |
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| Melting Point | 151-152 ℃ |
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| Molecular Formula | C10H12O4 |
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| Molecular Weight | 196.20000 |
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| Exact Mass | 196.07400 |
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| PSA | 77.76000 |
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| LogP | 1.78620 |
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| Index of Refraction | 1.5480 (estimate) |
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| InChIKey | SRUQARLMFOLRDN-UHFFFAOYSA-N |
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| SMILES | CCCC(=O)c1cc(O)c(O)cc1O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EU5425000
- CHEMICAL NAME :
- Butyrophenone, 2',4',5'-trihydroxy-
- CAS REGISTRY NUMBER :
- 1421-63-2
- BEILSTEIN REFERENCE NO. :
- 2577028
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C10-H12-O4
- MOLECULAR WEIGHT :
- 196.22
- WISWESSER LINE NOTATION :
- QR BQ DQ EV3
HEALTH HAZARD DATAACUTE TOXICITY DATA - 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
MUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 167 ug/plate
- REFERENCE :
- ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 8(Suppl 7),1,1986
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Safety Information
| Hazard Codes | Xi |
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| Risk Phrases | 43 |
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| Safety Phrases | 24-37 |
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| RIDADR | UN 2811 6.1/PG 3 |
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| RTECS | EU5425000 |
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| HS Code | 2914501900 |
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Customs
| HS Code | 2914501900 |
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| Summary | 2914501900 other ketone-phenols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| trihydroxybutyrophenone |
| 2,4,4',6-TETRACHLOROBIPHENYL |
| Thbp |
| 2,4,5-trihydroxybutyrophenone |
| USAF EK |
| Butyrophenone,2',4',5'-trihydroxy |