CAS No.17969-22-1,4-(CHLOROMETHYL)-2-(4-CHLOROPHENYL)-1,3-THIAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17969-22-1
Name:	4-(CHLOROMETHYL)-2-(4-CHLOROPHENYL)-1,3-THIAZOLE
Article Data:	19

Formula:	C₁₀H₇Cl₂NS
Molecular Weight:	244.144
Synonyms:	Thiazole,4-(chloromethyl)-2-(p-chlorophenyl)- (8CI);2-(p-Chlorophenyl)-4-(chloromethyl)thiazole;4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole;4-(Chloromethyl)-2-(p-chlorophenyl)thiazole;4-Chloromethyl-2-(4-chlorophenyl)thiazole;
Density:	1.378 g/cm³
Melting Point:	78 °C
Boiling Point:	374 °C at 760 mmHg
Flash Point:	180 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	41.13000
LogP:	4.20230

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Specification

This chemical is called Thiazole, 4-(chloromethyl)-2-(4-chlorophenyl)-, and its IUPAC name is 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole. With the molecular formula of C₁₀H₇Cl₂NS, its molecular weight is 244.14. The CAS registry number of this chemical is 17969-22-1.

Other characteristics of the Thiazole, 4-(chloromethyl)-2-(4-chlorophenyl)- can be summarised as followings: (1)ACD/LogP: 4.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.27; (4)ACD/LogD (pH 7.4): 4.27; (5)ACD/BCF (pH 5.5): 1039.35; (6)ACD/BCF (pH 7.4): 1039.38; (7)ACD/KOC (pH 5.5): 5023.33; (8)ACD/KOC (pH 7.4): 5023.52; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 61.98 cm³; (15)Molar Volume: 177 cm³; (16)Polarizability: 24.57×10^-24cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.378 g/cm³; (19)Flash Point: 180 °C; (20)Enthalpy of Vaporization: 59.69 kJ/mol; (21)Boiling Point: 374 °C at 760 mmHg; (22)Vapour Pressure: 1.85E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2ccc(c1nc(cs1)CCl)cc2
2.InChI: InChI=1/C10H7Cl2NS/c11-5-9-6-14-10(13-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2
3.InChIKey: UEJQTBKTWJQBRN-UHFFFAOYAR