2-(1,2,4-Triazol-1-yl)acetonitrile - CAS 81606-79-3

Catalog:	BB036681
Product Name:	2-(1,2,4-Triazol-1-yl)acetonitrile
CAS:	81606-79-3
Synonyms:	2-(1,2,4-triazol-1-yl)acetonitrile; 2-(1,2,4-triazol-1-yl)acetonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(1,2,4-triazol-1-yl)acetonitrile
Description:	2-(1,2,4-Triazol-1-yl)acetonitrile (CAS# 81606-79-3) is a useful research chemical.
Molecular Weight:	108.10
Molecular Formula:	C4H4N4
Canonical SMILES:	C1=NN(C=N1)CC#N
InChI:	InChI=1S/C4H4N4/c5-1-2-8-4-6-3-7-8/h3-4H,2H2
InChI Key:	ZEDZBEBBGBQWBP-UHFFFAOYSA-N
Boiling Point:	312.9 °C at 760 mmHg
Density:	1.27 g/cm³
MDL:	MFCD00792910
LogP:	-0.19832

Publication Number	Title	Priority Date
CN-112952197-A	Electrolyte solution, electrochemical device, and electronic device	20210126
CN-111446501-A	Electrolyte containing-F and-B two-group compound and electrochemical device thereof	20200408
CN-111370766-A	Electrolyte containing-S-F group compound and electrochemical device thereof	20200324
CN-113130988-A	Electrolyte and electrochemical device using same	20191230
CN-113130989-A	Electrolyte and electrochemical device	20191230

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Complexity:	113
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	108.043596145
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	108.043596145
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1