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| CAS No.: | 67909-31-3 |
|---|---|
| Name: | 4-METHYL-7-TRIMETHYLSILOXYCOUMARIN |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C13H16O3Si |
| Molecular Weight: | 248.35 |
| Synonyms: | 4-Methyl-7-(trimethylsilyloxy)coumarin;4-methyl-7-[(trimethylsilyl)oxy]-2H-chromen-2-one; |
| Density: | 1.09 g/cm3 |
| Melting Point: | 182-184°C |
| Boiling Point: | 317.5 °C at 760 mmHg |
| Flash Point: | 121.2 °C |
| Appearance: | Pale-Yellow solid |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 39.44000 |
| LogP: | 3.31510 |
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Specification
The 2H-1-Benzopyran-2-one,4-methyl-7-[(trimethylsilyl)oxy]-, with the CAS registry number 67909-31-3, is also known as 4-Methyl-7-trimethylsilyloxycumarin. It belongs to the product categories of Heterocyclic Compounds; Heterocycles. This chemical's molecular formula is C13H16O3Si and formula weight is 248.35. What's more, its systematic name is 4-methyl-7-[(trimethylsilyl)oxy]-2H-chromen-2-one.
Physical properties of 2H-1-Benzopyran-2-one,4-methyl-7-[(trimethylsilyl)oxy]- are: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 14.23; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 35.53 Å2; (10)Index of Refraction: 1.518; (11)Molar Refractivity: 69.13 cm3; (12)Molar Volume: 227.8 cm3; (13)Surface Tension: 31.7 dyne/cm; (14)Density: 1.09 g/cm3; (15)Flash Point: 121.2 °C; (16)Enthalpy of Vaporization: 55.89 kJ/mol; (17)Boiling Point: 317.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000384 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and sking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1cc(O[Si](C)(C)C)ccc1\C(=C\2)C
(2)InChI: InChI=1S/C13H16O3Si/c1-9-7-13(14)15-12-8-10(5-6-11(9)12)16-17(2,3)4/h5-8H,1-4H3
(3)InChIKey: QHQOZLBDGGWMFA-UHFFFAOYSA-N