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Benzaldehyde,2-[2-(trimethylsilyl)ethynyl]-

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Name

Benzaldehyde,2-[2-(trimethylsilyl)ethynyl]-

EINECS N/A
CAS No. 77123-58-1 Density 0.98 g/cm3
PSA 17.07000 LogP 2.72800
Solubility N/A Melting Point 48-53 °C(lit.)
Formula C12H14OSi Boiling Point 266.3 °C at 760 mmHg
Molecular Weight 202.328 Flash Point 114.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 77123-58-1 (2-(TRIMETHYLSILYL)ETHYNYLBENZALDEHYDE) Hazard Symbols FlammableF,ToxicT,IrritantXi
Synonyms

Benzaldehyde,2-[(trimethylsilyl)ethynyl]- (9CI);2-[(Trimethylsilyl)ethynyl]benzaldehyde;

Article Data 112

Benzaldehyde,2-[2-(trimethylsilyl)ethynyl]- 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

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