1,2,4-Triazole sodium derivative - CAS 41253-21-8

Catalog:	BB024841
Product Name:	1,2,4-Triazole sodium derivative
CAS:	41253-21-8
Synonyms:	sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene
Description:	1,2,4-Triazole sodium derivative (CAS# 41253-21-8) is an azole-based antimycotic agent that can be used to inhibit mold on unseasoned pine.
Molecular Weight:	91.05
Molecular Formula:	C2H2N3Na
Canonical SMILES:	C1=NC=N[N-]1.[Na+]
InChI:	InChI=1S/C2H2N3.Na/c1-3-2-5-4-1;/h1-2H;/q-1;+1
InChI Key:	NVMNEWNGLGACBB-UHFFFAOYSA-N
Boiling Point:	260 °C at 760 mmHg
Melting Point:	295 °C
Purity:	95 %
Density:	1.255 g/cm³
Appearance:	White solid
Storage:	2-8 °C
LogP:	-0.40950

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Related Functional Groups

Triazole/Tetrazole

[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[1823829-53-3]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)propanoate
[1823783-80-7]
Ethyl 4-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[106535-16-4]
Methyl-2-(1H-1,2,4-triazole-1-yl) acetate

GHS Hazard Statement:	H302 (77.47%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P273, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	32
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	91.01464136
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	91.01464136
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0