CAS No.3438-52-6,5-Bromo-6-methylpyrimidin-4-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3438-52-6
Name:	5-Bromo-6-methylpyrimidin-4-ol
Article Data:	5

Formula:	C₅H₅BrN₂O
Molecular Weight:	189.011
Synonyms:	4-pyrimidinol,5-bromo-6-methyl-;5-Bromo-6-methylpyrimidin-4(1H)-one;
Density:	1.84 g/cm³
Melting Point:	269 °C(Solv: water (7732-18-5))
Boiling Point:	225.5 °C at 760 mmHg
Flash Point:	90.1 °C
PSA:	46.01000
LogP:	1.25310

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Specification

The CAS registry number of 5-Bromo-6-methylpyrimidin-4-ol is 3438-52-6. In addition, the formula is C₅H₅BrN₂O and the molecular weight is 189.01. The IUPAC name is 5-Bromo-6-methylpyrimidin-4(1H)-one. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 5-Bromo-6-methylpyrimidin-4-ol are: (1)ACD/LogP: -0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): -0.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.76; (8)ACD/KOC (pH 7.4): 9.24; (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: 1.648; (14)Molar Refractivity: 37.36 cm³; (15)Molar Volume: 102.6 cm³; (16)Polarizability: 14.81 ×10^-24cm³; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.84 g/cm³; (19)Flash Point: 90.1 °C; (20)Enthalpy of Vaporization: 46.2 kJ/mol; (21)Boiling Point: 225.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0863 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Br\C1=C(\N\C=N/C1=O)C
(2)Std. InChI: InChI=1S/C5H5BrN2O/c1-3-4(6)5(9)8-2-7-3/h2H,1H3,(H,7,8,9)
(3)Std. InChIKey: BIJQLSJJQJIFCL-UHFFFAOYSA-N