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649662-56-6

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Basic Information
CAS No.: 649662-56-6
Name: 4,5-DICHLORO-1-(2-NITRO-4-(TRIFLUOROMETHYL)PHENYL)IMIDAZOLE
Molecular Structure:
Molecular Structure of 649662-56-6 (4,5-DICHLORO-1-(2-NITRO-4-(TRIFLUOROMETHYL)PHENYL)IMIDAZOLE)
Formula: C10H4Cl2F3N3O2
Molecular Weight: 326.06
Synonyms: 4,5-Dichloro-1-(2-nitro-4-(trifluoromethyl)phenyl)imidazole;4,5-Dichloro-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-imidazole;
Density: 1.71 g/cm3
Melting Point: 116-119 °C
Boiling Point: 410.2 °C at 760 mmHg
Flash Point: 201.9 °C
Hazard Symbols: 36/37/38:;
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 63.64000
LogP: 4.62930
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Specification

The systematic name of 4,5-Dichloro-1-(2-nitro-4-(trifluoromethyl)phenyl)imidazole is 4,5-dichloro-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-imidazole. With the CAS registry number 649662-56-6, it is also named as 1H-Imidazole,4,5-dichloro-1-[2-nitro-4-(trifluoromethyl)phenyl]-. The product's category is Imidazol & Benzimidazole. In addition, its molecular formula is C10H4Cl2F3N3O2 and its molecular weight is 326.06.

The other characteristics of 4,5-Dichloro-1-(2-nitro-4-(trifluoromethyl)phenyl)imidazole can be summarized as: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 3.45; (5)ACD/BCF (pH 5.5): 245.19; (6)ACD/BCF (pH 7.4): 245.19; (7)ACD/KOC (pH 5.5): 1786.56; (8)ACD/KOC (pH 7.4): 1786.56; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.64 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 65.54 cm3; (15)Molar Volume: 190.1 cm3; (16)Polarizability: 25.98×10-24cm3; (17)Surface Tension: 49 dyne/cm; (18)Density: 1.71 g/cm3; (19)Flash Point: 201.9 °C; (20)Melting Point: 116-119 °C; (21)Enthalpy of Vaporization: 63.68 kJ/mol; (22)Boiling Point: 410.2 °C at 760 mmHg; (23)Vapour Pressure: 1.45E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)c2cc(c(n1c(Cl)c(Cl)nc1)cc2)[N+]([O-])=O
(2)InChI: InChI=1/C10H4Cl2F3N3O2/c11-8-9(12)17(4-16-8)6-2-1-5(10(13,14)15)3-7(6)18(19)20/h1-4H
(3)InChIKey: RGHMKNKYGNLLRK-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H4Cl2F3N3O2/c11-8-9(12)17(4-16-8)6-2-1-5(10(13,14)15)3-7(6)18(19)20/h1-4H
(5)Std. InChIKey: RGHMKNKYGNLLRK-UHFFFAOYSA-N