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4,6-Dichloro-5-pyrimidinecarboxylic acid

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Name

4,6-Dichloro-5-pyrimidinecarboxylic acid

EINECS 690-471-4
CAS No. 87600-98-4 Density 1.718 g/cm3
PSA 63.08000 LogP 1.48160
Solubility Slightly soluble in water. Melting Point N/A
Formula C5H2Cl2N2O2 Boiling Point 353.8 °C at 760 mmHg
Molecular Weight 192.989 Flash Point 167.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 87600-98-4 (4,6-dichloropyrimidine-5-carboxylic acid) Hazard Symbols N/A
Synonyms

4,6-Dichloro-5-pyrimidinecarboxylicacid;4,6-Dichloropyrimidine-5-carboxylic acid;Acide 4,6-dichloropyrimidine-5-carboxylique;Names and Synonyms;SBB053226;AG-H-53575;TL8005699;TC-063405;

Article Data 3

4,6-Dichloro-5-pyrimidinecarboxylic acid Specification

The 5-Pyrimidinecarboxylicacid, 4,6-dichloro- with CAS registry number of 87600-98-4 is also known as Acide 4,6-dichloropyrimidine-5-carboxylique. The IUPAC name is 4,6-Dichloropyrimidine-5-carboxylic acid. It belongs to product categories of Carboxylic Acids; Pyrazines, Pyrimidines & Pyridazines. In addition, the formula is C5H2Cl2N2O2 and the molecular weight is 192.99.

Other characteristics of the 5-Pyrimidinecarboxylic acid, 4,6-dichloro- can be summarised as followings: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 63.08 Å2; (7)Index of Refraction: 1.614; (8)Molar Refractivity: 39.15 cm3; (9)Molar Volume: 112.3 cm3; (10)Polarizability: 15.52×10-24cm3; (11)Surface Tension: 74 dyne/cm; (12)Density: 1.718 g/cm3; (13)Flash Point: 167.8 °C; (14)Enthalpy of Vaporization: 63.19 kJ/mol; (15)Boiling Point: 353.8 °C at 760 mmHg; (16)Vapour Pressure: 1.29E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure: 
1. SMILES: O=C(O)c1c(Cl)ncnc1Cl
2. InChI: InChI=1/C5H2Cl2N2O2/c6-3-2(5(10)11)4(7)9-1-8-3/h1H,(H,10,11)
3. InChIKey: KGBLYFGHJNGQBK-UHFFFAOYAG
4. Std. InChI: InChI=1S/C5H2Cl2N2O2/c6-3-2(5(10)11)4(7)9-1-8-3/h1H,(H,10,11)
5. Std. InChIKey: KGBLYFGHJNGQBK-UHFFFAOYSA-N

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