CAS No.83410-37-1,2,6-DIMETHYL-5-IODO-4(3H)-PYRIMIDONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	83410-37-1
Name:	2,6-DIMETHYL-5-IODO-4(3H)-PYRIMIDONE
Article Data:	6

Formula:	C₆H₇IN₂O
Molecular Weight:	250.039
Synonyms:	2,6-Dimethyl-5-iodo-4-hydroxypyrimidine;NSC 246041;4(1H)-Pyrimidinone,5-iodo-2,6-dimethyl- (9CI);
Density:	2.03 g/cm³
Boiling Point:	254.9 °C at 760 mmHg
Flash Point:	107.9 °C
PSA:	46.01000
LogP:	1.40360

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Specification

The 4(3H)-Pyrimidinone,5-iodo-2,6-dimethyl-, with the CAS registry number 83410-37-1, is also known as 5-Iodo-2,6-dimethylpyrimidin-4(1H)-one. This chemical's molecular formula is C₆H₇IN₂O and molecular weight is 250.04. What's more, its IUPAC name is called 5-Iodo-2,6-dimethyl-1H-pyrimidin-4-one.

Physical properties about 4(3H)-Pyrimidinone,5-iodo-2,6-dimethyl- are: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.11; (4)ACD/LogD (pH 7.4): 0.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.75; (8)ACD/KOC (pH 7.4): 8.7; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 46.88 cm³; (15)Molar Volume: 123 cm³; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 2.03 g/cm³; (18)Flash Point: 107.9 °C; (19)Enthalpy of Vaporization: 49.23 kJ/mol; (20)Boiling Point: 254.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0168 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: I\C1=C(\N\C(=N/C1=O)C)C
(2) InChI: InChI=1/C6H7IN2O/c1-3-5(7)6(10)9-4(2)8-3/h1-2H3,(H,8,9,10)
(3) InChIKey: LLRCHCURQABDLS-UHFFFAOYAZ