CAS No.393-77-1,2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	393-77-1
Name:	2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENOL
Article Data:	6

Formula:	C₇H₃F₃N₂O₅
Molecular Weight:	252.106
Synonyms:	p-Cresol, a,a,a-trifluoro-2,6-dinitro- (7CI,8CI);2,6-Dinitro-4-(trifluoromethyl)phenol;4-(Trifluoromethyl)-2,6-dinitrophenol;4-Hydroxy-3,5-dinitrobenzotrifluoride;
Density:	1.737 g/cm³
Melting Point:	47 °C
Boiling Point:	227.3 °C at 760 mmHg
Flash Point:	91.3 °C
Hazard Symbols:	Xi; T
Risk Codes:	20/21/22
Safety:	26-36/37/39
Transport Information:	UN3224
PSA:	111.87000
LogP:	3.27380

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Specification

The Phenol,2,6-dinitro-4-(trifluoromethyl)-, with CAS registry number 393-77-1, has the systematic name of 2,6-dinitro-4-(trifluoromethyl)phenol. Besides this, it is also called Alpha,alpha,alpha-trifluoro-2,6-dinitro-p-cresol. And the chemical formula of this chemical is C₇H₃F₃N₂O₅.

Physical properties of Phenol,2,6-dinitro-4-(trifluoromethyl)-: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.89; (8)ACD/KOC (pH 7.4): 1.22; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 100.87 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 46.2 cm³; (15)Molar Volume: 145 cm³; (16)Polarizability: 18.31×10^-24cm³; (17)Surface Tension: 52.4 dyne/cm; (18)Density: 1.737 g/cm³; (19)Flash Point: 91.3 °C; (20)Enthalpy of Vaporization: 48.27 kJ/mol; (21)Boiling Point: 227.3 °C at 760 mmHg; (22)Vapour Pressure: 0.052 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Phenol,2,6-dinitro-4-(trifluoromethyl)- is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1O)C(F)(F)F
(2)InChI: InChI=1/C7H3F3N2O5/c8-7(9,10)3-1-4(11(14)15)6(13)5(2-3)12(16)17/h1-2,13H
(3)InChIKey: FXZGYEWQIGIFMC-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C7H3F3N2O5/c8-7(9,10)3-1-4(11(14)15)6(13)5(2-3)12(16)17/h1-2,13H
(5)Std. InChIKey: FXZGYEWQIGIFMC-UHFFFAOYSA-N