4-(chloromethyl)-1,3-thiazole

The CAS register number of Thiazole,4-(chloromethyl)- is 3364-76-9. It also can be called as (1,3-Thiazol-4-yl)methylchloride and the systematic name about this chemical is 4-(chloromethyl)-1,3-thiazole. The molecular formula about this chemical is C₄H₄ClNS and the molecular weight is 133.5993. It belongs to the following product categorie which includes Thiazoles.

Physical properties about  are: (1)ACD/LogP: 0.71; (2)ACD/LogD (pH 5.5): 0.71; (3)ACD/LogD (pH 7.4): 0.71; (4)ACD/BCF (pH 5.5): 2.03; (5)ACD/BCF (pH 7.4): 2.03; (6)ACD/KOC (pH 5.5): 57.86; (7)ACD/KOC (pH 7.4): 57.87; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 41.13 Å²; (11)Index of Refraction: 1.564; (12)Molar Refractivity: 32.49 cm³; (13)Molar Volume: 99.8 cm³; (14)Polarizability: 12.88x10^-24cm³; (15)Surface Tension: 45.8 dyne/cm; (16)Density: 1.338 g/cm³; (17)Flash Point: 83.8 °C; (18)Enthalpy of Vaporization: 43.29 kJ/mol; (19)Boiling Point: 214.9 °C at 760 mmHg; (20)Vapour Pressure: 0.222 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-methyl-thiazole. This reaction will need reagent of PCl₃, SO₃, Cl₂ and solvent of H₂SO₄. This reaction needs catalytic agent of AIBN. The reaction time is 10 hours with reaction temperature of 85 - 90 °C. The yield is about 45%.

Uses of : it can be used to produce C₁₅H₁₅NO₃S with 3-oxo-3-phenyl-propionic acid ethyl ester. This reaction will need reagent of NaOEt and solvent of ethanol. The yield is about 74%.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ncsc1
(2)InChI: InChI=1/C4H4ClNS/c5-1-4-2-7-3-6-4/h2-3H,1H2 (3)InChIKey: QKWSLYINUYKIRF-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C4H4ClNS/c5-1-4-2-7-3-6-4/h2-3H,1H2
(5)Std. InChIKey: QKWSLYINUYKIRF-UHFFFAOYSA-N