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1-[3,5-bis(trifluoromethyl)phenyl]pyrrole

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Name

1-[3,5-bis(trifluoromethyl)phenyl]pyrrole

EINECS N/A
CAS No. 175136-60-4 Density 1.34 g/cm3
PSA 4.93000 LogP 4.51490
Solubility N/A Melting Point 43 °C
Formula C12H7F6N Boiling Point 238.9 °C at 760 mmHg
Molecular Weight 279.18 Flash Point 98.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 175136-60-4 (1-[3,5-bis(trifluoromethyl)phenyl]pyrrole) Hazard Symbols IrritantXi
Synonyms

1-[3,5-DI(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE;1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PYRROLE;1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE;1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole 97%;1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole97%;1-3,5-Bis(trifluoromethyl)phenylüpyrrole, 97%;1-3,5-Bis(Trifluoromethyl)Pheny;1-[3,5-Bis(trifluoromethyl)phenyl]-1H-pyrrole 97%

Article Data 2

1-[3,5-bis(trifluoromethyl)phenyl]pyrrole Specification

This chemical is called 1-[3,5-bis(trifluoromethyl)phenyl]pyrrole, and its systematic name is 1-[3,5-bis(trifluoromethyl)phenyl]-1H-pyrrole. With the molecular formula of C12H7F6N, its molecular weight is 279.18. The CAS registry number of this chemical is 175136-60-4.

Other characteristics of the 1-[3,5-bis(trifluoromethyl)phenyl]pyrrole can be summarised as followings: (1)ACD/LogP: 4.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.5; (4)ACD/LogD (pH 7.4): 4.5; (5)ACD/BCF (pH 5.5): 1558.15; (6)ACD/BCF (pH 7.4): 1558.15; (7)ACD/KOC (pH 5.5): 6712.23; (8)ACD/KOC (pH 7.4): 6712.23; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 56.99 cm3; (15)Molar Volume: 207.7 cm3; (16)Polarizability: 22.59×10-24cm3; (17)Surface Tension: 26.8 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 98.3 °C; (20)Enthalpy of Vaporization: 45.65 kJ/mol; (21)Boiling Point: 238.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0637 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: FC(F)(F)c1cc(cc(c1)n2cccc2)C(F)(F)F
2.InChI: InChI=1/C12H7F6N/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)19-3-1-2-4-19/h1-7H
3.InChIKey: BKSCRBOUGNMEKQ-UHFFFAOYAV

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