Ethyl 4H-1,2,4-Triazole-3-carboxylate - CAS 64922-04-9

Catalog:	BB032592
Product Name:	Ethyl 4H-1,2,4-Triazole-3-carboxylate
CAS:	64922-04-9
Synonyms:	1H-1,2,4-triazole-5-carboxylic acid ethyl ester; ethyl 1H-1,2,4-triazole-5-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 1H-1,2,4-triazole-5-carboxylate
Description:	Ethyl 4H-1,2,4-Triazole-3-carboxylate (CAS# 64922-04-9) is a useful research chemical.
Molecular Weight:	141.13
Molecular Formula:	C5H7N3O2
Canonical SMILES:	CCOC(=O)C1=NC=NN1
InChI:	InChI=1S/C5H7N3O2/c1-2-10-5(9)4-6-3-7-8-4/h3H,2H2,1H3,(H,6,7,8)
InChI Key:	DHZYWCBUDKTLGD-UHFFFAOYSA-N
Boiling Point:	288.7 °C at 760 mmHg
Density:	1.299 g/cm³
LogP:	-0.01860

Publication Number	Title	Priority Date
CN-111808034-A	Method for synthesizing 1,2, 4-triazole-3-methyl carboxylate	20200728
WO-2020245904-A1	Polishing solution, dispersion, polishing solution production method, and polishing method	20190604
WO-2020246471-A1	Polishing solution, dispersion, polishing solution production method, and polishing method	20190604
TW-202106846-A	Polishing liquid, dispersion, manufacturing method and polishing method of polishing liquid	20190604
WO-2020151589-A1	Acylamino bridged heterocyclic compound, and composition and application thereof	20190125

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.053826475
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	141.053826475
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5