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4,6-Dichloro-5-nitro-2-(trifluoromethyl)pyrimidine

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Name

4,6-Dichloro-5-nitro-2-(trifluoromethyl)pyrimidine

EINECS N/A
CAS No. 715-46-8 Density 1.805 g/cm3
PSA 71.60000 LogP 3.23360
Solubility N/A Melting Point N/A
Formula C5Cl2F3N3O2 Boiling Point 249.7 °C at 760 mmHg
Molecular Weight 261.97 Flash Point 104.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 715-46-8 (4,6-Dichloro-5-nitro-2-(trifluoromethyl)pyrimidine) Hazard Symbols N/A
Synonyms

IFLAB-BB F2124-0831;AKOS A0602-0707;Pyrimidine, 4,6-dichloro-5-nitro-2-(trifluoromethyl)-;

Article Data 5

4,6-Dichloro-5-nitro-2-(trifluoromethyl)pyrimidine Specification

This chemical is called 4,6-Dichloro-5-nitro-2-(trifluoromethyl)pyrimidine, and its CAS registry number is 715-46-8. With the molecular formula of C5Cl2F3N3O2, its molecular weight is 261.97.

Other characteristics of the 4,6-Dichloro-5-nitro-2-(trifluoromethyl)pyrimidine can be summarised as followings: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 5.07; (6)ACD/BCF (pH 7.4): 5.07; (7)ACD/KOC (pH 5.5): 111.18; (8)ACD/KOC (pH 7.4): 111.18; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.6 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 43.75 cm3; (15)Molar Volume: 145.1 cm3; (16)Polarizability: 17.34×10-24cm3; (17)Surface Tension: 46.9 dyne/cm; (18)Density: 1.805 g/cm3; (19)Flash Point: 104.8 °C; (20)Enthalpy of Vaporization: 46.72 kJ/mol; (21)Boiling Point: 249.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0357 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1nc(nc(Cl)c1N(=O)=O)C(F)(F)F
2.InChI: InChI=1/C5Cl2F3N3O2/c6-2-1(13(14)15)3(7)12-4(11-2)5(8,9)10
3.InChIKey: YJCAJZCDJPUTJQ-UHFFFAOYAP

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