5-(Trifluoromethyl)tetrazole - CAS 2925-21-5

Catalog:	BB020151
Product Name:	5-(Trifluoromethyl)tetrazole
CAS:	2925-21-5
Synonyms:	5-(trifluoromethyl)-2H-tetrazole; 5-(trifluoromethyl)-2H-tetrazole

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Computed Properties

IUPAC Name:	5-(trifluoromethyl)-2H-tetrazole
Description:	5-(Trifluoromethyl)tetrazole (CAS# 2925-21-5) is a useful research chemical compound.
Molecular Weight:	138.05
Molecular Formula:	C2HF3N4
Canonical SMILES:	C1(=NNN=N1)C(F)(F)F
InChI:	InChI=1S/C2HF3N4/c3-2(4,5)1-6-8-9-7-1/h(H,6,7,8,9)
InChI Key:	FOEPLOQMUWYHBM-UHFFFAOYSA-N
LogP:	0.21850

Publication Number	Title	Priority Date
CN-111193069-A	Metal salt, method for preparing metal salt, and electrolyte and electrochemical device each containing metal salt	20181115
EP-3657590-A1	Metallic salt containing anion having heterocyclic aromatic structure, method of preparing the same, as well as electrolyte and electrochemical device each including the metallic salt	20181115
KR-20200056869-A	Metallic salt including anion having heterocyclic aromatic structure and manufacturing method thereof, and electrolyte and electrochemincal device including the metallic salt	20181115
US-2020157058-A1	Metallic salt containing anion having heterocyclic aromatic structure, method of preparing the metallic salt, and electrolyte and electrochemical device each including the metallic salt	20181115
WO-2020049436-A1	A method for the preparation of fluoroalkyl nitriles and their use to prepare related fluoroalkyl tetrazoles	20180903

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Related Functional Groups

Triazole/Tetrazole

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[3-(1H-Tetrazol-1-yl)phenoxy]acetic acid

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.01533054
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	138.01533054
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4