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857284-13-0

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Basic Information
CAS No.: 857284-13-0
Name: 2,4-DIPHENYL-1,3-THIAZOLE-5-CARBONYL CHLORIDE
Molecular Structure:
Molecular Structure of 857284-13-0 (2,4-DIPHENYL-1,3-THIAZOLE-5-CARBONYL CHLORIDE)
Formula: C16H10ClNOS
Molecular Weight: 299.77
Synonyms: 2,4-Diphenylthiazole-5-carbonyl chloride;
Density: 1.308 g/cm3
Melting Point: 139 °C
Boiling Point: 486.5 °C at 760 mmHg
Flash Point: 248 °C
Risk Codes: 14-29-34
Safety: 8-22-26-30-36/37/39-45
PSA: 58.20000
LogP: 4.85610
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Specification

The 5-Thiazolecarbonylchloride, 2,4-diphenyl-, with the CAS registry number 857284-13-0, is also known as 2,4-Diphenylthiazole-5-carbonyl chloride. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C16H10ClNOS and molecular weight is 299.77. What's more, both its IUPAC name and systematic name are the same which is called 2,4-Diphenyl-1,3-thiazole-5-carbonyl chloride.

Physical properties about 5-Thiazolecarbonylchloride, 2,4-diphenyl- are: (1) ACD/LogP: 4.44; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.44; (4) ACD/LogD (pH 7.4): 4.44; (5) ACD/BCF (pH 5.5): 1389.54; (6) ACD/BCF (pH 7.4): 1389.54; (7) ACD/KOC (pH 5.5): 6183.93; (8) ACD/KOC (pH 7.4): 6183.93; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 58.2 Å2; (13)Index of Refraction: 1.636; (14) Molar Refractivity: 82.15 cm3; (15) Molar Volume: 229.1 cm3; (16) Surface Tension: 51.9 dyne/cm; (17) Density: 1.308 g/cm3; (18) Flash Point: 248 °C; (19) Enthalpy of Vaporization: 75.22 kJ/mol; (20) Boiling Point: 486.5 °C at 760 mmHg; (21) Vapour Pressure: 1.29E-09 mmHg at 25 °C; (22)Melting Point: 139 °C.

When you are dealing with this chemical, you should be very careful. This chemical reacts violently with water and it contacts with water liberates toxic gas. In addition, it may cause burns. The gas of this chemical can not be breathed. Therefore, you should keep container dry and in case of accident or if you feel unwell seek medical advice immediately. What's more, 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: ClC(=O)c1sc(nc1c2ccccc2)c3ccccc3
(2) InChI: InChI=1/C16H10ClNOS/c17-15(19)14-13(11-7-3-1-4-8-11)18-16(20-14)12-9-5-2-6-10-12/h1-10H
(3) InChIKey: DHGZZGFKARJISD-UHFFFAOYAL