CAS Number19088-73-4
Synonyms3-Cyano-7-hydroxycoumarin; 7-hydroxy-2-oxochromene-3-carbonitrile; 7-Hydroxy-2-oxo-2H-chromene-3-carbonitrile
Molecular FormulaC10H5NO3
Molecular Weight187.15
Purity≥98.0 (TLC)%
Density1.5 g/cm3
Boiling Point436.6ºC at 760 mmHg
Melting Point≥250ºC(lit.)
Appearancepowder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 19088-73-4 |
| Catalog No. | 2A-9038011 |
| Chinese Name | 3-氰基伞形酮 |
| Synonyms | 3-Cyano-7-hydroxycoumarin; 7-hydroxy-2-oxochromene-3-carbonitrile; 7-Hydroxy-2-oxo-2H-chromene-3-carbonitrile |
| Molecular Formula | C10H5NO3 |
| Molecular Weight | 187.15 |
| Purity | ≥98.0 (TLC) |
| Density | 1.5 g/cm3 |
| Boiling Point | 436.6ºC at 760 mmHg |
| Melting Point | ≥250ºC(lit.) |
| Appearance | powder |
| Water Solubility | DMF: soluble |
| Storage Condition | room temperature |
| Application | 3-Cyanoisone is a coumarin derivative used as a molecular probe and fluorescent dye. 3-cyanoanisone is also a macrophage migration inhibitory factor (MIF) tautomerase inhibitor with a Ki of 2.9 μM [1] |
| HTC | 2932209090 |
| PubChem ID | 57648313 |
| MDL Number | MFCD00037480 |
| SMILES | Oc1ccc2C=C(C#N)C(=O)Oc2c1 |
| InChI | 1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H |
| InChI Key | IJQYTHQDUDCJEQ-UHFFFAOYSA-N |
| Beilstein/REAXYS | 153271 |
| NACRES Code | NA.32 |
| UNSPSC | 12352108 |
| Hazard Symbols | transportation |
| MSDS | msds/38011_1_19088_73_4.pdf |
| Bioactivity | 3-Cyanoumbelliferone is a coumarin derivative, acting as molecular probe and fluorescent dye. 3-Cyanoumbelliferone is also a macrophage migration inhibitory factor (MIF) tautomerase inhibitor with a Ki of 2.9 μM[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others Target Ki: 2.9 μM (MIF)[1] References [1]. Orita M, et al. Coumarin and chromen-4-one analogues as tautomerase inhibitors of macrophage migration inhibitory factor: discovery and X-ray crystallography. J Med Chem. 2001 Feb 15;44(4):540-7. Chemical & Physical Properties Density 1.5 g/cm3 Boiling Point 436.6ºC at 760 mmHg Melting Point ≥250ºC(lit.) Molecular Formula C10H5NO3 Molecular Weight 187.15200 Flash Point 217.8ºC Exact Mass 187.02700 PSA 74.23000 LogP 1.37028 Vapour Pressure 3.13E-08mmHg at 25°C Index of Refraction 1.667 InChIKey IJQYTHQDUDCJEQ-UHFFFAOYSA-N SMILES N#Cc1cc2ccc(O)cc2oc1=O Water Solubility DMF: soluble |
| Use of | 3-Cyanoumbelliferone is a coumarin derivative, acting as molecular probe and fluorescent dye. 3-Cyanoumbelliferone is also a macrophage migration inhibitory factor (MIF) tautomerase inhibitor with a Ki of 2.9 μM[1]. Properties Name 3-Cyanoumbelliferone Synonym More Synonyms Biological Activity Description 3-Cyanoumbelliferone is a coumarin derivative, acting as molecular probe and fluorescent dye. 3-Cyanoumbelliferone is also a macrophage migration inhibitory factor (MIF) tautomerase inhibitor with a Ki of 2.9 μM[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others Ki: 2.9 μM (MIF)[1] References [1]. Orita M, et al. Coumarin and chromen-4-one analogues as tautomerase inhibitors of macrophage migration inhibitory factor: discovery and X-ray crystallography. J Med Chem. 2001 Feb 15;44(4):540-7. Chemical & Physical Properties Molecular Formula C10H5NO3 Exact Mass 187.02700 PSA 74.23000 LogP 1.37028 Index of Refraction 1.667 InChIKey IJQYTHQDUDCJEQ-UHFFFAOYSA-N Water Solubility DMF: soluble |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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