CAS Number50743-17-4
Synonyms4-oxochromene-3-carbonitrile; Chromone-3-carbonitrile; MFCD00052604
Molecular FormulaC10H5NO2
Molecular Weight171.15
Purity97%
Density1.34g/cm3
Boiling Point278.3ºC at 760 mmHg
Melting Point174-176 °C (lit.)
AppearanceLight yellow crystalline powder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 50743-17-4 |
| Catalog No. | 2A-9004419 |
| Chinese Name | 色酮-3-甲腈 |
| Synonyms | 4-oxochromene-3-carbonitrile; Chromone-3-carbonitrile; MFCD00052604 |
| Molecular Formula | C10H5NO2 |
| Molecular Weight | 171.15 |
| Purity | 97 |
| Density | 1.34g/cm3 |
| Boiling Point | 278.3ºC at 760 mmHg |
| Melting Point | 174-176 °C (lit.) |
| Appearance | Light yellow crystalline powder |
| Storage Condition | Keep the receptacle sealed, stored in a cool, dry |
| Packaging | III |
| HTC | 2926909090 |
| PubChem ID | 24863972 |
| MDL Number | MFCD00052604 |
| SMILES | O=C1C(=COc2ccccc12)C#N |
| InChI | 1S/C10H5NO2/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-4,6H |
| InChI Key | SFWNPLLGXKJESA-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | 6.1 |
| MSDS | msds/4419_1_50743_17_4.pdf |
| Use of | 3-Cyanochromone is a potent gram-negative bacteria WcbL protein inhibitor with IC50 of 28 uM in a competitive enzyme-inhibition model, shows inhibition constants Ki of 10 uM.. Properties Name Chromone-3-Carbonitrile Synonym More Synonyms Chemical & Physical Properties Molecular Formula C10H5NO2 Exact Mass 171.03200 PSA 54.00000 LogP 1.66468 Index of Refraction 1.621 InChIKey SFWNPLLGXKJESA-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 3439 International Dangerous Regulations for sea transport: 3439 International Dangerous Regulations for air transport: 3439 14.2 United Nations shipping name European Land Transport Dangerous Regulations: NITRILES, TOXIC, SOLID, N.O.S. (3-Cyanochromone) IMDG Code: NITRILES, TOXIC, SOLID, N.O.S. (3-Cyanochromone) International air transport hazard regulations: Nitriles, solid, toxic, n.o.s. (3-Cyanochromone) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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