5-[4-(Trifluoromethyl)phenyl]tetrazole - CAS 2251-79-8

Catalog:	BB017645
Product Name:	5-[4-(Trifluoromethyl)phenyl]tetrazole
CAS:	2251-79-8
Synonyms:	5-[4-(trifluoromethyl)phenyl]-2H-tetrazole; 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole

Technical Data

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Computed Properties

IUPAC Name:	5-[4-(trifluoromethyl)phenyl]-2H-tetrazole
Description:	5-[4-(Trifluoromethyl)phenyl]tetrazole (CAS# 2251-79-8) is a useful research chemical.
Molecular Weight:	214.15
Molecular Formula:	C8H5F3N4
Canonical SMILES:	C1=CC(=CC=C1C2=NNN=N2)C(F)(F)F
InChI:	InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-5(2-4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
InChI Key:	CCVCHQBLMDMSNN-UHFFFAOYSA-N
Boiling Point:	315.2 °C at 760 mmHg
Density:	1.464 g/cm³
MDL:	MFCD00052525
LogP:	1.88550

Publication Number	Title	Priority Date
US-2015187513-A1	Photosensitizers, method of making them and their use in photoelectric conversion devices	20131226
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
US-2014206825-A1	Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles	20110630
US-9724673-B2	Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles	20110630

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Related Functional Groups

Triazole/Tetrazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	212
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