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Cas Database |
| Name |
5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid |
EINECS | N/A |
| CAS No. | 50593-92-5 | Density | 1.91 g/cm3 |
| PSA | 88.38000 | LogP | 1.65920 |
| Solubility | N/A | Melting Point |
158-162 ºC (dec.) |
| Formula | C6H5 Br N2 O2 S | Boiling Point | 414.5 °C at 760 mmHg |
| Molecular Weight | 249.088 | Flash Point | 204.5 °C |
| Transport Information | N/A | Appearance | beige solid. |
| Safety | S26;S36/3739 22 | Risk Codes | R36/37/38 |
| Molecular Structure |
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Hazard Symbols |
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| Synonyms |
2-(Methylthio)-5-bromopyrimidine-4-carboxylicacid; 5-Bromo-2-methylsulfanyl-pyrimidine-4-carboxylic acid;5-Bromo-2-methylthiopyrimidine-4-carboxylic acid;5-Bromo-2-thiomethylpyrimidine-4-carboxylic acid; NSC 157318 |
Article Data | 10 |
5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid Chemical Properties
Molecular Structure of 5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid (CAS NO.50593-92-5):
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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
5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid Safety Profile
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 Specification
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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