2-Thiazolecarbonylchloride (30216-57-0)

The 1,3-Thiazole-2-carbonyl chloride, with the CAS registry number 30216-57-0, is also called 2-thiazolecarbonyl chloride. It is a kind of corrosive chemical, and belongs to the product category of Acidhalide. And the molecular formula of the chemical is C₄H₂ClNOS.

The characteristics of 1,3-Thiazole-2-carbonyl chloride are as followings: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 6.57; (6)ACD/BCF (pH 7.4): 6.57; (7)ACD/KOC (pH 5.5): 133.9; (8)ACD/KOC (pH 7.4): 133.9; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.2 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 32.97 cm³; (15)Molar Volume: 98.5 cm³; (16)Polarizability: 13.07×10^-24cm³; (17)Surface Tension: 55 dyne/cm; (18)Density: 1.497 g/cm³; (19)Flash Point: 101.8 °C; (20)Enthalpy of Vaporization: 48.18 kJ/mol; (21)Boiling Point: 244.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0299 mmHg at 25°C.

You should be cautious while dealing with this chemical. It reacts violently with water and will liberate toxic gas, and it is harmful if swallowed. Therefore, you had better take the following instructions: Do not breathe dust; Never add water to this product; Wear suitable protective clothing; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible). 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(=O)c1nccs1
(2)InChI: InChI=1/C4H2ClNOS/c5-3(7)4-6-1-2-8-4/h1-2H
(3)InChIKey: HKZCFGQSWLWNQA-UHFFFAOYAE