5-[3-(Trifluoromethyl)phenyl]-1H-tetrazole - CAS 92712-48-6

Catalog:	BB040601
Product Name:	5-[3-(Trifluoromethyl)phenyl]-1H-tetrazole
CAS:	92712-48-6
Synonyms:	5-[3-(trifluoromethyl)phenyl]-2H-tetrazole; 5-[3-(trifluoromethyl)phenyl]-2H-tetrazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-[3-(trifluoromethyl)phenyl]-2H-tetrazole
Description:	5-[3-(Trifluoromethyl)phenyl]-1H-tetrazole (CAS# 92712-48-6) is a useful research chemical.
Molecular Weight:	214.15
Molecular Formula:	C8H5F3N4
Canonical SMILES:	C1=CC(=CC(=C1)C(F)(F)F)C2=NNN=N2
InChI:	InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-2-5(4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
InChI Key:	KWSLGOVYXMQPPX-UHFFFAOYSA-N
Boiling Point:	325.2 °C at 760 mmHg
Density:	1.464 g/cm³
Solubility:	9.5 [ug/mL] (The mean of the results at pH 7.4)
MDL:	MFCD00068098
LogP:	1.88550

Publication Number	Title	Priority Date
US-2016016916-A1	Exo Olefin-Containing Nuclear Transport Modulators and Uses Thereof	20130315
WO-2014152263-A1	Exo olefin-containing nuclear transport modulators and uses thereof	20130315
EP-2726515-A1	Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles	20110630
EP-2726515-B1	Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles	20110630
FR-2977253-A1	Alcoxylic organostannic reagent supported, prepared and used for the synthesis of heterogeneous phase tetrazoles	20110630

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Related Functional Groups

Triazole/Tetrazole

[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1823402-73-8]
Ethyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[146-68-9]
Iodonitrotetrazolium chloride
[483993-77-7]
N-(2-Ethoxyphenyl)-3-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.04663066
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.04663066
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2