Molecular Structure of 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid (CAS NO.50593-92-5):
IUPAC Name: 5-bromo-2-methylsulfanylpyrimidine-4-carboxylic acid
Empirical Formula: C6H5BrN2O2S
Molecular Weight: 249.0851
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 88.38Å2
Index of Refraction: 1.677
Molar Refractivity: 48.986 cm3
Molar Volume: 130.064 cm3
Surface Tension: 88.28 dyne/cm
Density: 1.915 g/cm3
Flash Point: 204.493 °C
Enthalpy of Vaporization: 70.374 kJ/mol
Boiling Point: 414.517 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Melting point: 158-162 °C (dec.)
Product Categories: Acids and Derivatives; Heterocycles; pharmacetical; Carboxylic Acids; Pyrazines, Pyrimidines & Pyridazines; Heterocycle intermediates; Carboxylic Acids; Pyrazines, Pyrimidines & Pyridazines; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines; PyrimidinesHeterocyclic Building Blocks
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: Irritant
5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid , with CAS number of 50593-92-5, can be called 4-pyrimidinecarboxylic acid, 5-bromo-2-(methylthio)- ; 5-Bromo-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid ; 5-bromo-2-(methylthio)pyrimidine-4-carboxylic acid .
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