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

Name
1-[3,5-bis(trifluoromethyl)phenyl]pyrrole
EINECS
CAS No. 175136-60-4
Article Data2
CAS DataBase
Density 1.34 g/cm³
Solubility
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
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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%
PSA 4.93000
LogP 4.51490

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

Product Name

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

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

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