CAS No.54001-18-2,4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBONYL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54001-18-2
Name:	4-METHYL-2-PHENYL-1,3-THIAZOLE-5-CARBONYL CHLORIDE

Formula:	C₁₁H₈ClNOS
Molecular Weight:	237.71
Synonyms:	5-(Chlorocarbonyl)-4-methyl-2-phenyl-1,3-thiazole;
Density:	1.319 g/cm³
Melting Point:	122 °C
Boiling Point:	371.8 °C at 760 mmHg
Flash Point:	178.6 °C
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39-45
PSA:	58.20000
LogP:	3.49750

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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