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Thiazole,4-(4-isocyanatophenyl)-2-methyl-

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Name

Thiazole,4-(4-isocyanatophenyl)-2-methyl-

EINECS N/A
CAS No. 857283-94-4 Density 1.25 g/cm3
PSA 70.56000 LogP 3.08580
Solubility N/A Melting Point 80-81,5°C
Formula C11H8N2OS Boiling Point 347 °C at 760 mmHg
Molecular Weight 216.263 Flash Point 163.7 °C
Transport Information N/A Appearance N/A
Safety 22-26-36/37/39 Risk Codes 20/21/22-42
Molecular Structure Molecular Structure of 857283-94-4 (4-(4-ISOCYANATOPHENYL)-2-METHYL-1,3-THIAZOLE) Hazard Symbols N/A
Synonyms

4-(2-Methyl-1,3-thiazol-4-yl)phenyl isocyanate;

 

Thiazole,4-(4-isocyanatophenyl)-2-methyl- Specification

The Thiazole,4-(4-isocyanatophenyl)-2-methyl-, with the CAS registry number 857283-94-4, is also known as 4-(2-Methyl-1,3-thiazol-4-yl)phenyl isocyanate. This chemical's molecular formula is C11H8N2OS and molecular weight is 216.26. What's more, its systematic name is called 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole.

Physical properties about Thiazole,4-(4-isocyanatophenyl)-2-methyl- are: (1) ACD/LogP: 3.59; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 2; (6) Polar Surface Area: 70.56 Å2; (7) Index of Refraction: 1.645; (8) Molar Refractivity: 62.72 cm3; (9)Molar Volume: 172.9 cm3; (10) Surface Tension: 48.5 dyne/cm; (11) Density: 1.25 g/cm3; (12) Flash Point: 163.7 °C; (13) Enthalpy of Vaporization: 59.13 kJ/mol; (14) Boiling Point: 347 °C at 760 mmHg; (15) Vapour Pressure: 5.53E-05 mmHg at 25 °C; (16) Melting Point: 80-81.5 °C.

When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin and if swallowed. In addition, it may cause sensitisation by inhalation. The gas of this chemical can not be breathed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C=N\c2ccc(c1nc(sc1)C)cc2
(2) InChI: InChI=1/C11H8N2OS/c1-8-13-11(6-15-8)9-2-4-10(5-3-9)12-7-14/h2-6H,1H3
(3) InChIKey: FTGJJMLYVNMJHU-UHFFFAOYAM

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