3-Nitro-4-(trifluoromethyl)phenol supplier

Name
3-NITRO-4-(TRIFLUOROMETHYL)PHENOL
EINECS
CAS No. 25889-36-5
Article Data1
CAS DataBase
Density 1.554 g/cm³
Solubility
Melting Point 103 °C
Formula C₇H₄F₃NO₃
Boiling Point 286.2 °C at 760 mmHg
Molecular Weight 207.11
Flash Point 126.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms p-Cresol,a,a,a-trifluoro-3-nitro-(8CI);3-Nitro-4-(trifluoromethyl)phenol;
PSA 66.05000
LogP 2.84240

3-Nitro-4-(trifluoromethyl)phenol Specification

The Phenol,3-nitro-4-(trifluoromethyl)-, with the CAS registry number 25889-36-5, is also known as 4-(Trifluoromethyl)-3-Nitrophenol. It belongs to the product category of Aromatic Halides (substituted). This chemical's molecular formula is C₇H₄F₃NO₃ and molecular weight is 207.11. What's more, its IUPAC name is 3-Nitro-4-(trifluoromethyl)phenol.

Physical properties about Phenol,3-nitro-4-(trifluoromethyl) are: (1)ACD/LogP: 3.33; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 190.55; (6)ACD/BCF (pH 7.4): 42.4; (7)ACD/KOC (pH 5.5): 1472.29; (8)ACD/KOC (pH 7.4): 327.61; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.05 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 39.65 cm³; (15)Molar Volume: 133.2 cm³; (16)Polarizability: 15.72×10^-24cm³; (17)Surface Tension: 39.9 dyne/cm; (18) Density: 1.554 g/cm³; (19)Flash Point: 126.9 °C; (20)Enthalpy of Vaporization: 54.64 kJ/mol; (21)Boiling Point: 286.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00155 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(O)ccc1C(F)(F)F
(2) InChI: InChI=1/C7H4F3NO3/c8-7(9,10)5-2-1-4(12)3-6(5)11(13)14/h1-3,12H
(3) InChIKey: NIIKTULPELJXBP-UHFFFAOYAC

Product Name

3-NITRO-4-(TRIFLUOROMETHYL)PHENOL

3-Nitro-4-(trifluoromethyl)phenol Specification

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