Name: 2-(TRIMETHYLSILYL)ETHYNYLBENZALDEHYDE
SKU: 77123-58-1

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Basic Information

Molecular Structure:
CAS No.:	77123-58-1
Name:	2-(TRIMETHYLSILYL)ETHYNYLBENZALDEHYDE
Article Data:	112

Formula:	C₁₂H₁₄OSi
Molecular Weight:	202.328
Synonyms:	Benzaldehyde,2-[(trimethylsilyl)ethynyl]- (9CI);2-[(Trimethylsilyl)ethynyl]benzaldehyde;
Density:	0.98 g/cm³
Melting Point:	48-53 °C(lit.)
Boiling Point:	266.3 °C at 760 mmHg
Flash Point:	114.9 °C
Hazard Symbols:	F,T,Xi
Risk Codes:	36/37/38
Safety:	26-36/37
PSA:	17.07000
LogP:	2.72800

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Specification

The Benzaldehyde,2-[2-(trimethylsilyl)ethynyl]- is an organic compound with the formula C₁₂H₁₄OSi. The systematic name of this chemical is 2-[(trimethylsilyl)ethynyl]benzaldehyde. With the CAS registry number 77123-58-1, it is also named as 2-[2-(trimethylsilyl)ethynyl]benzaldehyde. The product's categories are Aldehydes; C10 to C21; Carbonyl Compounds.

Physical properties about Benzaldehyde,2-[2-(trimethylsilyl)ethynyl]- are: (1)D/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: 114.9 °C; (18)Enthalpy of Vaporization: 50.43 kJ/mol; (19)Boiling Point: 266.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0087 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccccc1C#C[Si](C)(C)C
(2)InChI: InChI=1/C12H14OSi/c1-14(2,3)9-8-11-6-4-5-7-12(11)10-13/h4-7,10H,1-3H3
(3)InChIKey: IROGCMISRBINQX-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C12H14OSi/c1-14(2,3)9-8-11-6-4-5-7-12(11)10-13/h4-7,10H,1-3H3
(5)Std. InChIKey: IROGCMISRBINQX-UHFFFAOYSA-N