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| CAS No.: | 16492-28-7 |
|---|---|
| Name: | METHYL 2,4-DICHLOROPYRIMIDINE-6-CARBOXYLATE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C5H2Cl2N2O2 |
| Molecular Weight: | 192.989 |
| Synonyms: | 2,4-Dichloropyrimidine-6-carboxylicacid;2,6-Dichloro-4-pyrimidinecarboxylic acid;NSC 46804; |
| Density: | 1.718 g/cm3 |
| Melting Point: | 54-56 °C |
| Boiling Point: | 374.9 °C at 760 mmHg |
| Flash Point: | 180.5 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/38 |
| Safety: | 26 |
| PSA: | 63.08000 |
| LogP: | 1.48160 |
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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