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Basic Information
CAS No.: 61727-33-1
Name: 5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid
Molecular Structure:
Molecular Structure of 61727-33-1 (5-Chloro-2-(methylthio)pyrimidine-4-carboxylic acid)
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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Chemistry

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

Safety Profile

Hazard Codes: Xi
Risk Statements: 36-37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37-37/39
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

Specification

  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 .