-
Name
5-CHLORO-3-(CHLOROMETHYL)-1,2,4-THIADIAZOLE
- EINECS
- CAS No. 74461-64-6
- Density 1.609g/cm3
- Solubility
- Melting Point
- Formula C3H2Cl2N2S
- Boiling Point 269.5 °C at 760 mmHg
- Molecular Weight 169.034
- Flash Point 116.8 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
C
- Synonyms 3-Chloromethyl-5-chloro-1,2,4-thiadiazole;5-Chloro-3-(chloromethyl)-1,2,4-thiadiazole;NSC 330684;
- PSA 54.02000
- LogP 1.93030
5-Chloro-3-chloromethyl-[1,2,4]thiadiazole 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
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