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2,6-Dichloropyrimidine-4-carboxylic acid

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Name

2,6-Dichloropyrimidine-4-carboxylic acid

EINECS N/A
CAS No. 16492-28-7 Density 1.718 g/cm3
PSA 63.08000 LogP 1.48160
Solubility Slightly soluble in water. Melting Point 54-56 °C
Formula C5H2Cl2N2O2 Boiling Point 374.9 °C at 760 mmHg
Molecular Weight 192.989 Flash Point 180.5 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/38
Molecular Structure Molecular Structure of 16492-28-7 (METHYL 2,4-DICHLOROPYRIMIDINE-6-CARBOXYLATE) Hazard Symbols Xi
Synonyms

2,4-Dichloropyrimidine-6-carboxylicacid;2,6-Dichloro-4-pyrimidinecarboxylic acid;NSC 46804;

Article Data 7

2,6-Dichloropyrimidine-4-carboxylic acid Specification

The 2,6-Dichloropyrimidine-4-carboxylic acid with its cas register number is 16492-28-7. It also can be called as 4-Pyrimidinecarboxylicacid, 2,6-dichloro- and the IUPAC Name about this chemical is 2,6-dichloropyrimidine-4-carboxylic acid.

Physical properties about 2,6-Dichloropyrimidine-4-carboxylic acid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 52.08Å2; (9)Index of Refraction: 1.614; (10)Molar Refractivity: 39.15 cm3; (11)Molar Volume: 112.3 cm3; (12)Polarizability: 15.52x10-24cm3; (13)Surface Tension: 74 dyne/cm; (14) Enthalpy of Vaporization: 65.65 kJ/mol; (15)Vapour Pressure: 2.76E-06 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(N=C(N=C1Cl)Cl)C(=O)O
(2)InChI: InChI=1S/C5H2Cl2N2O2/c6-3-1-2(4(10)11)8-5(7)9-3/h1H,(H,10,11) 
(3)InChIKey: MOXUTXQEKYPKKS-UHFFFAOYSA-N 

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