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1,3-Thiazole-2-carbonyl chloride

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Name

1,3-Thiazole-2-carbonyl chloride

EINECS N/A
CAS No. 30216-57-0 Density 1.497 g/cm3
PSA 58.20000 LogP 1.52210
Solubility N/A Melting Point 54-58 °C
Formula C4H2ClNOS Boiling Point 244.7 °C at 760 mmHg
Molecular Weight 147.585 Flash Point 101.8 °C
Transport Information N/A Appearance N/A
Safety 22-26-30-36/37/39-45 Risk Codes 14-22-29-34
Molecular Structure Molecular Structure of 30216-57-0 (1,3-Thiazole-2-carbonyl chloride) Hazard Symbols CorrosiveC
Synonyms

1,3-Thiazole-2-carbonylchloride;2-thiazolecarbonyl chloride;

Article Data 6

1,3-Thiazole-2-carbonyl chloride Specification

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

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