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Benzene,1-fluoro-3,5-bis(trifluoromethyl)-

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Name

Benzene,1-fluoro-3,5-bis(trifluoromethyl)-

EINECS 206-591-3
CAS No. 35564-19-3 Density 1.444 g/cm3
PSA 0.00000 LogP 3.86330
Solubility N/A Melting Point N/A
Formula C8H3F7 Boiling Point 99.8 °C at 760 mmHg
Molecular Weight 232.101 Flash Point 17.8 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 35564-19-3 (3,5-BIS(TRIFLUOROMETHYL)FLUOROBENZENE) Hazard Symbols IrritantXi
Synonyms

1-Fluoro-3,5-bis(trifluoromethyl)benzene;3,5-Bis(trifluoromethyl)fluorobenzene;NSC 88298;1-fluoro-3,5-bis(trifluoromethyl)benzene;benzene, 1-fluoro-3,5-bis(trifluoromethyl)-;m-Xylene, α,α,α,α',α',α',5-heptafluoro-;

Article Data 4

Benzene,1-fluoro-3,5-bis(trifluoromethyl)- Specification

The Benzene,1-fluoro-3,5-bis(trifluoromethyl)-, with the CAS registry number 35564-19-3, has the systematic name of 1-fluoro-3,5-bis(trifluoromethyl)benzene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H3F7.

The characteristics of Benzene,1-fluoro-3,5-bis(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.368; (8)Molar Refractivity: 36.2 cm3; (9)Molar Volume: 160.6 cm3; (10)Polarizability: 14.35×10-24cm3; (11)Surface Tension: 17.5 dyne/cm; (12)Density: 1.444 g/cm3; (13)Flash Point: 17.8 °C; (14)Enthalpy of Vaporization: 32.51 kJ/mol; (15)Boiling Point: 99.8 °C at 760 mmHg; (16)Vapour Pressure: 43.4 mmHg at 25°C. 

Uses of Benzene,1-fluoro-3,5-bis(trifluoromethyl)-: It can react with tris-(2-amino-ethyl)-amine to produce N-(3,5-bis-trifluoromethyl-phenyl)-N',N'-bis-[2-(3,5-bis-trifluoromethyl-phenylamino)-ethyl]-ethane-1,2-diamine. This reaction will need reagent potassium carbonate, and the menstruum dimethylsulfoxide. The reaction time is 2 days with temperature of 110-120°C, and the yield is about 99%.   

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: FC(F)(F)c1cc(cc(F)c1)C(F)(F)F
(2)InChI: InChI=1/C8H3F7/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
(3)InChIKey: ZBVDOILFQLAMEJ-UHFFFAOYAR

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