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2,3,4,6-Tetrafluoronitrobenzene

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Name

2,3,4,6-Tetrafluoronitrobenzene

EINECS 206-246-7
CAS No. 314-41-0 Density 1.652 g/cm3
PSA 45.82000 LogP 2.67440
Solubility N/A Melting Point -5
Formula C6HF4NO2 Boiling Point 218.988 °C at 760 mmHg
Molecular Weight 195.073 Flash Point 86.241 °C
Transport Information N/A Appearance yellow liquid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 314-41-0 (2,3,4,6-TETRAFLUORONITROBENZENE) Hazard Symbols IrritantXi
Synonyms

1,2,3,5-Tetrafluoro-4-nitrobenzene;2,3,4,6-Tetrafluoro-1-nitrobenzene;

Article Data 9

2,3,4,6-Tetrafluoronitrobenzene 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

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