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2-(4-Phenyl-1,3-thiazol-2-yl)acetonitrile

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Name

2-(4-Phenyl-1,3-thiazol-2-yl)acetonitrile

EINECS N/A
CAS No. 41381-89-9 Density 1.223 g/cm3
PSA 64.92000 LogP 2.87618
Solubility N/A Melting Point 59 °C
Formula C11H8N2S Boiling Point 378.5 °C at 760 mmHg
Molecular Weight 200.264 Flash Point 182.7 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 41381-89-9 (2-(4-Phenyl-1,3-thiazol-2-yl)acetonitrile) Hazard Symbols IrritantXi
Synonyms

2-Cyanomethyl-4-phenylthiazole;4-Phenyl-2-(cyanomethyl)thiazole;4-Phenyl-2-thiazoleacetonitrile;4-Phenyl-2-thiazolylacetonitrile;4-Phenylthiazole-2-acetonitrile;

Article Data 12

2-(4-Phenyl-1,3-thiazol-2-yl)acetonitrile 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

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