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Thiazole,4-(chloromethyl)-

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Name

Thiazole,4-(chloromethyl)-

EINECS N/A
CAS No. 3364-76-9 Density 1.338 g/cm3
PSA 41.13000 LogP 1.88190
Solubility N/A Melting Point N/A
Formula C4H4ClNS Boiling Point 214.9 °C at 760 mmHg
Molecular Weight 133.601 Flash Point 83.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3364-76-9 (4-(chloromethyl)-1,3-thiazole) Hazard Symbols N/A
Synonyms

(1,3-Thiazol-4-yl)methylchloride;4-(Chloromethyl)-1,3-thiazole;4-(Chloromethyl)-2-thiazole;4-(Chloromethyl)thiazole;

Article Data 24

Thiazole,4-(chloromethyl)- Specification

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

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