5-[3,5-Bis(trifluoromethyl)phenyl]tetrazole - CAS 175205-09-1

Catalog:	BB013095
Product Name:	5-[3,5-Bis(trifluoromethyl)phenyl]tetrazole
CAS:	175205-09-1
Synonyms:	5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole; 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole

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IUPAC Name:	5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole
Description:	5-[3,5-Bis(trifluoromethyl)phenyl]tetrazole (CAS# 175205-09-1) is a useful research chemical.
Molecular Weight:	282.15
Molecular Formula:	C9H4F6N4
Canonical SMILES:	C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NNN=N2
InChI:	InChI=1S/C9H4F6N4/c10-8(11,12)5-1-4(7-16-18-19-17-7)2-6(3-5)9(13,14)15/h1-3H,(H,16,17,18,19)
InChI Key:	KKJFZIQEWZVVIV-UHFFFAOYSA-N
MDL:	MFCD06246015
LogP:	2.90430

Publication Number	Title	Priority Date
WO-2021141072-A1	Nucleic acid synthesis method using segment-type amidite	20200108
CN-111039977-A	Phosphorylylation reagent and application thereof in oligonucleotide synthesis	20191231
WO-2020191252-A1	Technologies useful for oligonucleotide preparation	20190320
TW-202045521-A	Novel phosphoramidites	20190220
TW-202102516-A	Phosphonoacetate gapmer oligonucleotides	20190220

PMID	Publication Date	Title	Journal
17900140	20071026	Synthesis of branched oligonucleotides with three different sequences using an oxidatively removable tritylthio group	The Journal of organic chemistry

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Related Functional Groups

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	295
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	282.03401512
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	282.03401512
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9