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| CAS No.: | 38846-64-9 |
|---|---|
| Name: | 2-ETHYNYLBENZALDEHYDE |
| Article Data: | 65 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H6O |
| Molecular Weight: | 130.146 |
| Synonyms: | o-Ethynylbenzaldehyde;2-Ethynylbenzaldehyde; |
| Density: | 1.07 g/cm3 |
| Melting Point: | 64-67 °C(lit.) |
| Boiling Point: | 230.3 °C at 760 mmHg |
| Flash Point: | 90.8 °C |
| Hazard Symbols: |
 Xi, F
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 17.07000 |
| LogP: | 1.48040 |
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Specification
The Benzaldehyde,2-ethynyl- is an organic compound with the formula C9H6O. The systematic name of this chemical is 2-ethynylbenzaldehyde. With the CAS registry number 38846-64-9, it is also named as ethynylbenzaldehyde. The product's categories are Aldehydes; C9; Carbonyl Compounds.
Physical properties about Benzaldehyde,2-ethynyl- are: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): 1.82; (3)ACD/LogD (pH 7.4): 1.82; (4)ACD/BCF (pH 5.5): 14.27; (5)ACD/BCF (pH 7.4): 14.27; (6)ACD/KOC (pH 5.5): 233.34; (7)ACD/KOC (pH 7.4): 233.34; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.554; (12)Molar Refractivity: 38.78 cm3; (13)Molar Volume: 121 cm3; (14)Polarizability: 15.37×10-24cm3; (15)Surface Tension: 43.2 dyne/cm; (16)Density: 1.07 g/cm3; (17)Flash Point: 90.8 °C; (18)Enthalpy of Vaporization: 46.7 kJ/mol; (19)Boiling Point: 230.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0662 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. 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
(2)InChI: InChI=1/C9H6O/c1-2-8-5-3-4-6-9(8)7-10/h1,3-7H
(3)InChIKey: ZEDSAJWVTKUHHK-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H6O/c1-2-8-5-3-4-6-9(8)7-10/h1,3-7H
(5)Std. InChIKey: ZEDSAJWVTKUHHK-UHFFFAOYSA-N