Introduction：Basic information about CAS 939-19-5|3-hydroxycoumarin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-hydroxycoumarin |
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| CAS Number | 939-19-5 | Molecular Weight | 162.14200 |
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| Density | 1.446 g/cm3 | Boiling Point | 369.9ºC at 760 mmHg |
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| Molecular Formula | C9H6O3 | Melting Point | 153-157 °C(lit.) |
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| MSDS | / | Flash Point | 174.7ºC |
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Names
| Name | 3-hydroxycoumarin |
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| Synonym | More Synonyms |
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3-hydroxycoumarin BiologicalActivity
| Description | 3-hydroxycoumarin is a potent and redox inhibitor of human 15-LOX-1. 3-hydroxycoumarin is recently demonstrated to protect sea urchin reproductive cells against ultraviolet B damage[1][2]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Alavi SJ, Sadeghian H, Seyedi SM, Salimi A, Eshghi H. A novel class of human 15-LOX-1 inhibitors based on 3-hydroxycoumarin. Chem Biol Drug Des. 2018;91(6):1125‐1132. [2]. Born SL, et al. Synthesis and reactivity of coumarin 3,4-epoxide. Drug Metab Dispos. 1997;25(11):1318‐1324. [3]. Asthana S, et al. Structure-Activity Relationship Study of Hydroxycoumarins and Mushroom Tyrosinase. J Agric Food Chem. 2015;63(32):7236‐7244. |
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Chemical & Physical Properties
| Density | 1.446 g/cm3 |
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| Boiling Point | 369.9ºC at 760 mmHg |
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| Melting Point | 153-157 °C(lit.) |
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| Molecular Formula | C9H6O3 |
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| Molecular Weight | 162.14200 |
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| Flash Point | 174.7ºC |
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| Exact Mass | 162.03200 |
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| PSA | 50.44000 |
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| LogP | 1.49860 |
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| Index of Refraction | 1.659 |
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| InChIKey | MJKVTPMWOKAVMS-UHFFFAOYSA-N |
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| SMILES | O=c1oc2ccccc2cc1O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GN6797000
- CHEMICAL NAME :
- Coumarin, 3-hydroxy-
- CAS REGISTRY NUMBER :
- 939-19-5
- BEILSTEIN REFERENCE NO. :
- 0128032
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H6-O3
- MOLECULAR WEIGHT :
- 162.15
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- MPHEAE Medicina et Pharmacologia Experimentalis. (Basel, Switzerland) V.12-17, 1965-67. For publisher information, see PHMGBN. Volume(issue)/page/year: 17,497,1967
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Safety Information
| Hazard Codes | Xn: Harmful;Xi: Irritant; |
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| Risk Phrases | R22 |
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| Safety Phrases | S22-S24/25 |
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| WGK Germany | 3 |
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| RTECS | GN6797000 |
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| HS Code | 2932209090 |
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Customs
| HS Code | 2932209090 |
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| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 3-Hydroxycoumarine |
| 3-hydroxy-coumari |
| 3-HYDROXY-2H-CHROMEN-2-ONE |
| 3-hydroxy<1>benzopyran-2-one |
| HYDROXYCOUMARIN,3 |
| 3-hydroxy-2-benzopyrone |
| 2,3-DIHYDROXYCOUMARIN |
| 3-hydroxychromone |
| EINECS 213-355-3 |
| AURORA KA-3736 |
| 3-Hydroxy-2H-1-benzopyran-2-on |
| MFCD00017490 |
| hydroxy-coumarin |
