Introduction：Basic information about CAS 13057-72-2|7-Hydroxyisoflavone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 7-Hydroxyisoflavone |
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| CAS Number | 13057-72-2 | Molecular Weight | 238.238 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 450.1±45.0 °C at 760 mmHg |
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| Molecular Formula | C15H10O3 | Melting Point | 214.0 to 218.0 °C |
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| MSDS | / | Flash Point | 176.3±22.2 °C |
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Names
| Name | 7-hydroxyisoflavone |
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| Synonym | More Synonyms |
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7-Hydroxyisoflavone BiologicalActivity
| Description | 7-Hydroxyisoflavone (compound 3) is a natural isoflavone compound[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Taj Ur Rahman, et al. Spectroscopic and density functional theory studies of 7-hydroxy-3'-methoxyisoflavone: A new isoflavone from the seeds of Indigofera heterantha (Wall). Spectrochim Acta A Mol Biomol Spectrosc. 2015 Sep 5:148:375-81. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 450.1±45.0 °C at 760 mmHg |
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| Melting Point | 214.0 to 218.0 °C |
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| Molecular Formula | C15H10O3 |
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| Molecular Weight | 238.238 |
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| Flash Point | 176.3±22.2 °C |
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| Exact Mass | 238.062988 |
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| PSA | 50.44000 |
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| LogP | 3.02 |
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| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
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| Index of Refraction | 1.666 |
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| InChIKey | WMKOZARWBMFKAS-UHFFFAOYSA-N |
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| SMILES | O=c1c(-c2ccccc2)coc2cc(O)ccc12 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DJ3100255
- CHEMICAL NAME :
- 4H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl-
- CAS REGISTRY NUMBER :
- 13057-72-2
- BEILSTEIN REFERENCE NO. :
- 0193534
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C15-H10-O3
- MOLECULAR WEIGHT :
- 238.25
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GWXXBX German Offenlegungsschrift Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #3415394
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GWXXBX German Offenlegungsschrift Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #3415394
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2430 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- KHFZAN Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1967- Volume(issue)/page/year: 24(9),38,1990
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GWXXBX German Offenlegungsschrift Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #3415394
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Safety Information
| Hazard Codes | Xn |
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| Risk Phrases | 22-36/37/38 |
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| Safety Phrases | 26-37/39 |
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| RTECS | DJ3100255 |
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| HS Code | 2914400090 |
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Customs
| HS Code | 2914400090 |
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| Summary | 2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| Isoflavone,7-hydroxy-(6CI,7CI,8CI) |
| 4H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl- |
| 7-hydroxy-isoflavone |
| 7-Hydroxyisoflavone |
| 7-Hydroxy-3-phenyl-chromen-4-one |
| 7-hydroxy-3-phenyl-4H-1-benzopyran-4-one |
| 7-hydroxy-3-phenylchromen-4-one |
| MFCD00017701 |
| 7-Hydroxy-3-phenyl-4H-chromen-4-one |
| 4H-1-Benzopyran-4-one,7-hydroxy-3-phenyl |
