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5-Bromo-2-methylpyrimidine-4-carboxylic acid

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Name

5-Bromo-2-methylpyrimidine-4-carboxylic acid

EINECS N/A
CAS No. 100707-39-9 Density 1.795 g/cm3
PSA 63.08000 LogP 1.24570
Solubility N/A Melting Point 172-173 °C (decomp)(Solv: methanol (67-56-1))
Formula C6H5BrN2O2 Boiling Point 335.169 °C at 760 mmHg
Molecular Weight 217.022 Flash Point 156.505 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 100707-39-9 (5-Bromo-2-methyl-4-pyrimidinecarboxylic acid) Hazard Symbols N/A
Synonyms

2-Methyl-5-bromopyrimidine-4-carboxylicacid;NSC 82651;

 

5-Bromo-2-methylpyrimidine-4-carboxylic acid Specification

The 5-Bromo-2-methylpyrimidine-4-carboxylic acid with its cas register number is 100707-39-9. It also can be called as 4-Pyrimidinecarboxylicacid, 5-bromo-2-methyl- and the IUPAC Name about this chemical is 5-bromo-2-methylpyrimidine-4-carboxylic acid. It belongs to the pharmacetical.

Physical properties about 5-Bromo-2-methylpyrimidine-4-carboxylic acid are: (1)ACD/LogP: 1.34; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 63.08Å2; (10)Index of Refraction: 1.61; (11)Molar Refractivity: 41.881 cm3; (12)Molar Volume: 120.87 cm3; (13)Polarizability: 16.603x10-24cm3; (14)Surface Tension: 67.02 dyne/cm; (15)Enthalpy of Vaporization: 61.029 kJ/mol.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC=C(C(=N1)C(=O)O)Br
(2)InChI: InChI=1S/C6H5BrN2O2/c1-3-8-2-4(7)5(9-3)6(10)11/h2H,1H3,(H,10,11
(3)InChIKey: MDERWSRHRJUWNS-UHFFFAOYSA-N

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