5-Chloro-4-(chloromethyl)-1,2,3-thiadiazole supplier

Name
5-CHLORO-4-(CHLOROMETHYL)-1,2,3-THIADIAZOLE, 97%, 97
EINECS
CAS No. 88127-85-9
Density 1.609g/cm³
Solubility
Melting Point
Formula C₃H₂Cl₂N₂S
Boiling Point 249.5 °C at 760 mmHg
Molecular Weight 169.034
Flash Point 104.7 °C
Transport Information
Appearance
Safety
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols R34:Causes burns.;
Synonyms 5-Chloro-4-chloromethyl-[1,2,3]thiadiazole;1,2,3-Thiadiazole,5-chloro-4-(chloromethyl)-(9CI);
PSA 54.02000
LogP 1.93030

5-Chloro-4-(chloromethyl)-1,2,3-thiadiazole Specification

The 5-Chloro-4-(chloromethyl)-1,2,3-thiadiazole with cas registry number of 88127-85-9, belongs to the following product categorie: halometyl. It has the systematic name of 5-chloro-4-(chloromethyl)-1,2,3-thiadiazole. And its IUPAC name is 5-chloro-4-(chloromethyl)thiadiazole.

Physical properties about this chemical are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.63; (6)ACD/BCF (pH 7.4): 10.63; (7)ACD/KOC (pH 5.5): 188.93; (8)ACD/KOC (pH 7.4): 188.93; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.02 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 35.48 cm³; (15)Molar Volume: 105 cm³; (16)Polarizability: 14.06×10^-24cm³; (17)Surface Tension: 58 dyne/cm; (18)Enthalpy of Vaporization: 46.7 kJ/mol; (19)Vapour Pressure: 0.0362 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1snnc1CCl;
(2)InChI: InChI=1/C3H2Cl2N2S/c4-1-2-3(5)8-7-6-2/h1H2;
(3)InChIKey: DADXWROZAWLOFB-UHFFFAOYAZ;
(4)Std. InChI: InChI=1S/C3H2Cl2N2S/c4-1-2-3(5)8-7-6-2/h1H2;
(5)Std. InChIKey: DADXWROZAWLOFB-UHFFFAOYSA-N

Product Name

5-CHLORO-4-(CHLOROMETHYL)-1,2,3-THIADIAZOLE, 97%, 97

5-Chloro-4-(chloromethyl)-1,2,3-thiadiazole Specification

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