3-Nitro-4-(trifluoromethoxy)aniline supplier

Name
3-NITRO-4-(TRIFLUOROMETHOXY)ANILINE
EINECS
CAS No. 2822-50-6
Article Data3
CAS DataBase
Density 1.543 g/cm³
Solubility
Melting Point
Formula C₇H₅F₃N₂O₃
Boiling Point 300.09 °C at 760 mmHg
Molecular Weight 222.124
Flash Point 135.29 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms p-Anisidine,a,a,a-trifluoro-3-nitro- (6CI,8CI);3-Nitro-4-(trifluoromethoxy)aniline;
PSA 81.07000
LogP 3.18000

3-Nitro-4-(trifluoromethoxy)aniline Specification

The Benzenamine,3-nitro-4-(trifluoromethoxy)-, with CAS registry number 2822-50-6, has the systematic name of 3-nitro-4-(trifluoromethoxy)aniline. Besides this, it is also called 4-(Trifluoromethoxy)-3-nitroaniline. And the chemical formula of this chemical is C₇H₅F₃N₂O₃.

Physical properties of Benzenamine,3-nitro-4-(trifluoromethoxy)-: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 22.42; (6)ACD/BCF (pH 7.4): 22.42; (7)ACD/KOC (pH 5.5): 322.36; (8)ACD/KOC (pH 7.4): 322.39; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 58.29 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 44.16 cm³; (15)Molar Volume: 143.9 cm³; (16)Polarizability: 17.51×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.543 g/cm³; (19)Flash Point: 135.3 °C; (20)Enthalpy of Vaporization: 54.01 kJ/mol; (21)Boiling Point: 300.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1ccc(cc1[N+]([O-])=O)N
(2)InChI: InChI=1/C7H5F3N2O3/c8-7(9,10)15-6-2-1-4(11)3-5(6)12(13)14/h1-3H,11H2
(3)InChIKey: QXIKEFNBFUHDHK-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H5F3N2O3/c8-7(9,10)15-6-2-1-4(11)3-5(6)12(13)14/h1-3H,11H2
(5)Std. InChIKey: QXIKEFNBFUHDHK-UHFFFAOYSA-N

Product Name

3-NITRO-4-(TRIFLUOROMETHOXY)ANILINE

3-Nitro-4-(trifluoromethoxy)aniline Specification

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