CAS No.314-41-0,2,3,4,6-TETRAFLUORONITROBENZENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	314-41-0
Name:	2,3,4,6-TETRAFLUORONITROBENZENE
Article Data:	9

Formula:	C₆HF₄NO₂
Molecular Weight:	195.073
Synonyms:	1,2,3,5-Tetrafluoro-4-nitrobenzene;2,3,4,6-Tetrafluoro-1-nitrobenzene;
EINECS:	206-246-7
Density:	1.652 g/cm³
Melting Point:	-5
Boiling Point:	218.988 °C at 760 mmHg
Flash Point:	86.241 °C
Appearance:	yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	45.82000
LogP:	2.67440

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Specification

The 2,3,4,6-Tetrafluoronitrobenzene, with the CAS registry number 314-41-0 and EINECS registry number 206-246-7, has the systematic name of 1,2,3,5-tetrafluoro-4-nitrobenzene. The molecular formula of the chemical is C₆HF₄NO₂. And it belongs to the following product categories: Benzene series; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.12; (6)ACD/BCF (pH 7.4): 5.12; (7)ACD/KOC (pH 5.5): 111.96; (8)ACD/KOC (pH 7.4): 111.96; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 32.77 cm³; (15)Molar Volume: 118.1 cm³; (16)Polarizability: 12.99×10^-24cm³; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 1.651 g/cm³; (19)Flash Point: 86.2 °C; (20)Enthalpy of Vaporization: 43.68 kJ/mol; (21)Boiling Point: 219 °C at 760 mmHg; (22)Vapour Pressure: 0.18 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(c(F)c(F)c(F)c1)[N+]([O-])=O
(2)InChI: InChI=1/C6HF4NO2/c7-2-1-3(8)6(11(12)13)5(10)4(2)9/h1H
(3)InChIKey: FDLCUAUNAWWSBX-UHFFFAOYAZ