CAS No.328-75-6,3,5-Bis(trifluoromethyl)nitrobenzene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	328-75-6
Name:	3,5-Bis(trifluoromethyl)nitrobenzene
Article Data:	7

Formula:	C₈H₃F₆NO₂
Molecular Weight:	259.108
Synonyms:	m-Xylene, a,a,a,a',a',a'-hexafluoro-5-nitro- (8CI);1,3-Bis(trifluoromethyl)-5-nitrobenzene;1-Nitro-3,5-bis(trifluoromethyl)benzene;3,5-Bis(trifluoromethyl)nitrobenzene;3,5-Di(trifluoromethyl)nitrobenzene;
EINECS:	206-336-6
Density:	1.539 g/cm³
Boiling Point:	203 °C at 760 mmHg
Flash Point:	77.8 °C
Appearance:	Clear yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39-24/25-36
PSA:	45.82000
LogP:	4.15560

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Specification

The Benzene,1-nitro-3,5-bis(trifluoromethyl)-, with the CAS registry number 328-75-6, is also known as 3,5-Bis(trifluoromethyl)nitrobenzene. It belongs to the product categories of Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. Its EINECS number is 206-336-6. This chemical's molecular formula is C₈H₃F₆NO₂ and formula weight is 259.11. What's more, its IUPAC name is 1-nitro-3,5-bis(trifluoromethyl)benzene.

Physical properties of Benzene,2,4-dibromo-1-methoxy- are: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 305.16; (4)ACD/KOC (pH 5.5): 2089.45; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.82 Å²; (9)Index of Refraction: 1.421; (10)Molar Refractivity: 42.75 cm³; (11)Molar Volume: 168.2 cm³; (12)Surface Tension: 25.2 dyne/cm; (13)Density: 1.539 g/cm³; (14)Flash Point: 77.8 °C; (15)Enthalpy of Vaporization: 42.13 kJ/mol; (16)Boiling Point: 203 °C at 760 mmHg; (17)Vapour Pressure: 0.405 mmHg at 25°C.

Uses of Benzene,1-nitro-3,5-bis(trifluoromethyl)-: it can be used to produce (2-nitro-4,6-bis-trifluoromethyl-phenyl)-acetic acid ethyl ester at the temperature of -5 - 0°C. It will need reagent potassium t-butoxide and solvent dimethylformamide. It is a reaction of alkylation. The yield is about 56%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When using it, you should wear suitable protective clothing, gloves and eye/face protection. You should avoid contact with skin and eyes. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(F)(F)F
(2)InChI: InChI=1S/C8H3F6NO2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)15(16)17/h1-3H
(3)InChIKey: GMUWJDVVXLBMEZ-UHFFFAOYSA-N