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5-Thiazolecarbonylchloride, 4-methyl-2-phenyl-

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Name

5-Thiazolecarbonylchloride, 4-methyl-2-phenyl-

EINECS N/A
CAS No. 54001-18-2 Density 1.319 g/cm3
PSA 58.20000 LogP 3.49750
Solubility N/A Melting Point 122 °C
Formula C11H8ClNOS Boiling Point 371.8 °C at 760 mmHg
Molecular Weight 237.71 Flash Point 178.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 54001-18-2 (4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBONYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

5-(Chlorocarbonyl)-4-methyl-2-phenyl-1,3-thiazole;

 

5-Thiazolecarbonylchloride, 4-methyl-2-phenyl- Specification

The 5-Thiazolecarbonylchloride, 4-methyl-2-phenyl-, with the CAS registry number 54001-18-2, is also known as 5-(Chlorocarbonyl)-4-methyl-2-phenyl-1,3-thiazole. This chemical's molecular formula is C11H8ClNOS and molecular weight is 237.7053. What's more, its systematic name is called 4-Methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride.

Physical properties about 5-Thiazolecarbonylchloride, 4-methyl-2-phenyl- are: (1)ACD/LogP: 3.69; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 3.69; (5)ACD/BCF (pH 5.5): 375.75; (6)ACD/BCF (pH 7.4): 375.75; (7)ACD/KOC (pH 5.5): 2425.03; (8)ACD/KOC (pH 7.4): 2425.05; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.2 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 62.38 cm3; (15)Molar Volume: 180.1 cm3; (16)Surface Tension: 50.2 dyne/cm; (17)Density: 1.319 g/cm3; (18)Flash Point: 178.6 °C; (19)Enthalpy of Vaporization: 61.88 kJ/mol; (20)Boiling Point: 371.8 °C at 760 mmHg; (21)Vapour Pressure: 1.01E-05 mmHg at 25 °C; (22)Melting Point: 122 °C.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and cause burns. 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. In addition, if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)c1sc(nc1C)c2ccccc2
(2) InChI: InChI=1/C11H8ClNOS/c1-7-9(10(12)14)15-11(13-7)8-5-3-2-4-6-8/h2-6H,1H3
(3) InChIKey: ZQWZVEKZFVCSNY-UHFFFAOYAK

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