Molecular Structure of 4-Thiazolemethanol,2-bromo- (CAS NO.5198-86-7):
IUPAC Name: (2-bromo-1,3-thiazol-4-yl)methanol
Empirical Formula: C4H4BrNOS
Molecular Weight: 194.0497
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 50.36 Å2
Index of Refraction: 1.641
Molar Refractivity: 36.86 cm3
Molar Volume: 102.1 cm3
Surface Tension: 63.7 dyne/cm
Density: 1.899 g/cm3
Flash Point: 128.1 °C
Enthalpy of Vaporization: 55.71 kJ/mol
Boiling Point: 288.3 °C at 760 mmHg
Vapour Pressure: 0.00109 mmHg at 25°C
Storage temp: Keep Cold
Product Categories: blocks; Bromides; Thiazoles; API intermediates
SMILES: Brc1nc(cs1)CO
InChI: InChI=1/C4H4BrNOS/c5-4-6-3(1-7)2-8-4/h2,7H,1H2
Hazard Codes: Xi
Hazard Note: Irritant/Keep Cold
4-Thiazolemethanol,2-bromo- , with CAS number of 5198-86-7, can be called (2-Bromo-1,3-thiazol-4-yl)methanol ; 2-Bromo-4-(hydroxymethyl)-1,3-thiazole 97% ; 2-Bromo-4-hydroxymethylthiazole ; 2-Bromothiazole-4-methanol .
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