6-Chloro-3-Methyluracil / Trelagliptin Intermediate / Alogiptin Intermeidate 4318-56-3

Molecular Structure:

Synonyms:  Uracil,6-chloro-3-methyl- (7CI,8CI);3-Methyl-6-chlorouracil;

                    6-Chloro-3-methylpyrimidine-2,4(1H,3H)-dione;NSC55976;

                    6-Chloro-3-methyl uracil;

Specification:

IUPAC Name: 6-Chloro-3-methyl-1H-pyrimidine-2,4-dione 
Following is the structure of 2,4(1H,3H)-Pyrimidinedione,6-chloro-3-methyl- (CAS NO.4318-56-3):

Empirical Formula: C5H5ClN2O2
Molecular Weight: 160.5584 g/mol
Molar Refractivity: 35.42 cm3
Molar Volume: 106.3 cm3
Density: 1.51 g/cm3
Flash Point: 116.3 °C
Index of Refraction: 1.58
Surface Tension: 54.1 dyne/cm
Melting point: 278-280 °C (dec.)
Enthalpy of Vaporization: 58.85 kJ/mol
Boiling Point: 268.7 °C at 760 mmHg
Vapour Pressure of 2,4(1H,3H)-Pyrimidinedione,6-chloro-3-methyl- (CAS NO.4318-56-3): 0.00101 mmHg at 25 °C
Product Categories of 2,4(1H,3H)-Pyrimidinedione,6-chloro-3-methyl- (CAS NO.4318-56-3): Pyrimidine; Biochemistry; Nucleobases and their analogs; Nucleosides, Nucleotides & Related Reagents
Canonical SMILES: CN1C(=O)C=C(NC1=O)Cl
InChI: InChI=1S/C5H5ClN2O2/c1-8-4(9)2-3(6)7-5(8)10/h2H,1H3,(H,7,10)
InChIKey: SGLXGFAZAARYJY-UHFFFAOYSA-N