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CAS No.: | 61727-33-1 |
---|---|
Name: | 5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H5 Cl N2 O2 S |
Molecular Weight: | 204.637 |
Synonyms: | 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylicacid; 5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid |
Density: | 1.59g/cm3 |
Melting Point: | 204-205 ºC |
Boiling Point: | 396.4°C at 760 mmHg |
Flash Point: | 193.5°C |
Hazard Symbols: | |
Risk Codes: | R36/37/38 |
PSA: | 88.38000 |
LogP: | 1.55010 |
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Molecular Structure of 5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid (CAS NO.61727-33-1):
Empirical Formula: C6H5ClN2O2S
Molecular Weight: 204.6341
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 77.38 Å2
Index of Refraction: 1.638
Molar Refractivity: 46.09 cm3
Molar Volume: 128.1 cm3
Surface Tension: 81.2 dyne/cm
Density: 1.59 g/cm3
Flash Point: 193.5 °C
Enthalpy of Vaporization: 68.2 kJ/mol
Boiling Point: 396.4 °C at 760 mmHg
Vapour Pressure: 5.4E-07 mmHg at 25°C
Melting point: 165 °C (dec.)
Product Categories: pharmacetical; 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: 26-36/37-37/39
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.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant
5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid , with CAS number of 61727-33-1, can be called 5-Chloro-2-(methylsulfanyl)pyrimidine-4-carboxylic acid ; 4-pyrimidinecarboxylic acid, 5-chloro-2-(methylthio)- ; 5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid 98% ; 5-Chloro-2-methylsulfanyl-pyrimidine-4-carboxylic acid .