1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole

Catalog No: FT-0719450

CAS No: 31251-03-3

Chemical Name: 1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
Molecular Formula: C22H16F3N3
Molecular Weight: 379.4
InChI Key: LXMQMMSGERCRSU-UHFFFAOYSA-N
InChI: InChI=1S/C22H16F3N3/c23-22(24,25)20-13-7-12-19(14-20)21(28-16-26-15-27-28,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

MF:	C22H16F3N3
Density:	1.21g/cm3
Computational_Chemistry:	['1. XlogP :57 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 307 ', '7. Heavy Atom Count :28 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :480 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
More_Info:	['1. Appearance 纯品为White 结晶。 ', '2. Melting point（ºC,Atmospheric pressure）132℃ ', '3. Solubility 20℃时溶解度为二氯甲烷40%，环己酮20%，甲苯10%，丙二醇5%， Water 15mg/L。']
Exact_Mass:	379.13000
Flash_Point:	247.5ºC
PSA:	30.71000
Molecular_Structure:	['1 . Molar refractive index 10448 ', '2 . Molar volume 3121 ', '3 . Parachor （902K）7885 ', '4 . Surface tension 407 ', '5 . Polarizability 4142']
LogP:	5.13710
Bolling_Point:	485.6ºC at 760mmHg
FW:	379.37800
Refractive_Index:	1.584

Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
HS_Code:	2933990090
RIDADR:	NONH for all modes of transport
Safety_Statements:	H413
RTECS:	XZ4803020