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41381-89-9

Basic Information
CAS No.: 41381-89-9
Name: 2-(4-Phenyl-1,3-thiazol-2-yl)acetonitrile
Article Data: 12
Molecular Structure:
Molecular Structure of 41381-89-9 (2-(4-Phenyl-1,3-thiazol-2-yl)acetonitrile)
Formula: C11H8N2S
Molecular Weight: 200.264
Synonyms: 2-Cyanomethyl-4-phenylthiazole;4-Phenyl-2-(cyanomethyl)thiazole;4-Phenyl-2-thiazoleacetonitrile;4-Phenyl-2-thiazolylacetonitrile;4-Phenylthiazole-2-acetonitrile;
Density: 1.223 g/cm3
Melting Point: 59 °C
Boiling Point: 378.5 °C at 760 mmHg
Flash Point: 182.7 °C
Hazard Symbols: IrritantXi
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
PSA: 64.92000
LogP: 2.87618
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Specification

The 2-(4-Phenyl-1,3-thiazol-2-yl)acetonitrile is an organic compound with the formula C11H8N2S. The IUPAC name of this chemical is 2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile. With the CAS registry number 41381-89-9, it is also named as (4-phenyl-1,3-thiazol-2-yl)acetonitrile. The product's categories are Thiazoles, Isothiazoles & Benzothiazoles.

Physical properties about 2-(4-Phenyl-1,3-thiazol-2-yl)acetonitrile are: (1)ACD/LogP: 2.34; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 64.92 Å2; (5)Index of Refraction: 1.61; (6)Molar Refractivity: 56.78 cm3; (7)Molar Volume: 163.6 cm3; (8)Polarizability: 22.51×10-24cm3; (9)Surface Tension: 53.6 dyne/cm; (10)Density: 1.223 g/cm3; (11)Flash Point: 182.7 °C; (12)Enthalpy of Vaporization: 62.63 kJ/mol; (13)Boiling Point: 378.5 °C at 760 mmHg; (14)Vapour Pressure: 6.28E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc2nc(c1ccccc1)cs2
(2)InChI: InChI=1/C11H8N2S/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9/h1-5,8H,6H2
(3)InChIKey: SOFCSIBVJROWGI-UHFFFAOYA
(4)Std. InChI: InChI=1S/C11H8N2S/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9/h1-5,8H,6H2
(5)Std. InChIKey: SOFCSIBVJROWGI-UHFFFAOYSA-N