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CAS No.: | 77123-55-8 |
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Name: | 3-(TRIMETHYLSILYL)ETHYNYLBENZALDEHYDE |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C12H14OSi |
Molecular Weight: | 202.328 |
Synonyms: | Benzaldehyde,3-[(trimethylsilyl)ethynyl]- (9CI);3-(Trimethylsilylethynyl)benzaldehyde; |
Density: | 0.98 g/cm3 |
Boiling Point: | 265.6 °C at 760 mmHg |
Flash Point: | 114.4 °C |
Hazard Symbols: | F,T |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 17.07000 |
LogP: | 2.72800 |
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The Benzaldehyde,3-[2-(trimethylsilyl)ethynyl]- is an organic compound with the formula C12H14OSi. The systematic name of this chemical is 3-[(trimethylsilyl)ethynyl]benzaldehyde. With the CAS registry number 77123-55-8, it is also named as 3-[2-(trimethylsilyl)ethynyl]benzaldehyde.
Physical properties about Benzaldehyde,3-[2-(trimethylsilyl)ethynyl]- are: (1)ACD/LogP: 3.88; (2)ACD/LogD (pH 5.5): 3.88; (3)ACD/LogD (pH 7.4): 3.88; (4)ACD/BCF (pH 5.5): 519.08; (5)ACD/BCF (pH 7.4): 519.08; (6)ACD/KOC (pH 5.5): 3056.12; (7)ACD/KOC (pH 7.4): 3056.12; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.514; (12)Molar Refractivity: 61.63 cm3; (13)Molar Volume: 204.4 cm3; (14)Polarizability: 24.43×10-24cm3; (15)Surface Tension: 32.5 dyne/cm; (16)Density: 0.98 g/cm3; (17)Flash Point: 114.4 °C; (18)Enthalpy of Vaporization: 50.36 kJ/mol; (19)Boiling Point: 265.6 °C at 760 mmHg; (20)Vapour Pressure: 0.00906 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cccc(C#C[Si](C)(C)C)c1
(2)InChI: InChI=1/C12H14OSi/c1-14(2,3)8-7-11-5-4-6-12(9-11)10-13/h4-6,9-10H,1-3H3
(3)InChIKey: UPZYBRHQVJTPBO-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C12H14OSi/c1-14(2,3)8-7-11-5-4-6-12(9-11)10-13/h4-6,9-10H,1-3H3
(5)Std. InChIKey: UPZYBRHQVJTPBO-UHFFFAOYSA-N