CAS No.74461-64-6,5-CHLORO-3-(CHLOROMETHYL)-1,2,4-THIADIAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	74461-64-6
Name:	5-CHLORO-3-(CHLOROMETHYL)-1,2,4-THIADIAZOLE

Formula:	C₃H₂Cl₂N₂S
Molecular Weight:	169.034
Synonyms:	3-Chloromethyl-5-chloro-1,2,4-thiadiazole;5-Chloro-3-(chloromethyl)-1,2,4-thiadiazole;NSC 330684;
Density:	1.609g/cm³
Boiling Point:	269.5 °C at 760 mmHg
Flash Point:	116.8 °C
Hazard Symbols:	C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	54.02000
LogP:	1.93030

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Specification

The 5-Chloro-3-chloromethyl-[1,2,4]thiadiazole, with CAS registry number 74461-64-6, belongs to the following product categories: (1)Halometyl; (2)Thiazole series. It has the systematic name of 5-chloro-3-(chloromethyl)-1,2,4-thiadiazole. And the chemical formula of this chemical is C₃H₂Cl₂N₂S.

Physical properties of 5-Chloro-3-chloromethyl-[1,2,4]thiadiazole: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 54.02 Å²; (7)Index of Refraction: 1.59; (8)Molar Refractivity: 35.48 cm³; (9)Molar Volume: 105 cm³; (10)Polarizability: 14.06×10^-24cm³; (11)Surface Tension: 58 dyne/cm; (12)Enthalpy of Vaporization: 48.72 kJ/mol; (13)Vapour Pressure: 0.012 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 5-Chloro-3-chloromethyl-[1,2,4]thiadiazole irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(ns1)CCl
(2)InChI: InChI=1/C3H2Cl2N2S/c4-1-2-6-3(5)8-7-2/h1H2
(3)InChIKey: FFFMIFUBJZBTCG-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C3H2Cl2N2S/c4-1-2-6-3(5)8-7-2/h1H2
(5)Std. InChIKey: FFFMIFUBJZBTCG-UHFFFAOYSA-N