Name: Salicyloylaminotriazole
SKU: 36411-52-6

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Basic Information

Molecular Structure:
CAS No.:	36411-52-6
Name:	Salicyloylaminotriazole

Formula:	C9H8 N4 O2
Molecular Weight:	204.188
Synonyms:	Benzamide,2-hydroxy-N-1H-1,2,4-triazol-3-yl- (9CI); 3-(N-Salicyloyl)amino-1,2,4-triazole;3-(Salicyloylamino)-1,2,4-triazole; 3-Salicylamido-1H-1,2,4-triazole; ADK StabCDA 1; ADK Stab CDA 1M; Adeka CDA 1c; CDA 1; CDA 1M; Mark 1475; Mark CDA 1;Mark CDA 1M; NSC 332171; Salicyloylaminotriazole
EINECS:	253-021-4
Density:	1.552
Melting Point:	275-276 ºC
Boiling Point:	°Cat760mmHg
Flash Point:	°C
PSA:	90.90000
LogP:	0.83560

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Chemistry

Molecular structure of 2-Hydroxy-N-1H-1,2,4-triazol-3-ylbenzamide (CAS NO.36411-52-6) is:

Product Name: 2-Hydroxy-N-1H-1,2,4-triazol-3-ylbenzamide
CAS Registry Number: 36411-52-6
IUPAC Name: 2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
Molecular Weight: 204.18542 [g/mol]
Molecular Formula: C₉H₈N₄O₂
XLogP3-AA: 1.4
H-Bond Donor: 3
H-Bond Acceptor: 4
EINECS: 253-021-4
Melting Point: 275-276 °C
Index of Refraction: 1.745
Molar Refractivity: 53.32 cm³
Molar Volume: 131.5 cm³
Surface Tension: 94.3 dyne/cm
Density: 1.552 g/cm³
Other Registry Number: 106803-52-5
Classification Code: Drug / Therapeutic Agent ;Mutation data
Canonical SMILES: C1=CC=C(C(=C1)C(=O)NC2=NC=NN2)O
InChI: InChI=1S/C9H8N4O2/c14-7-4-2-1-3-6(7)8(15)12-9-10-5-11-13-9/h1-5,14H,(H2,10,11,12,13,15)
InChIKey: MZZYGYNZAOVRTG-UHFFFAOYSA-N

Uses

2-Hydroxy-N-1H-1,2,4-triazol-3-ylbenzamide (CAS NO.36411-52-6) can be synthetic chelating agent used chiefly to inhibit corrosion of copper.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	500mg/kg (500mg/kg)		Farmaco. Vol. 44, Pg. 465, 1989.
mouse	LD50	oral	1gm/kg (1000mg/kg)		Farmaco. Vol. 44, Pg. 465, 1989.

Specification

2-Hydroxy-N-1H-1,2,4-triazol-3-ylbenzamide , its cas register number is 36411-52-6. It also can be called 3-(2-Hydroxybenzamido)-1,2,4-triazole ; 3-(N-Salicyloylamino)-1,2,4-triazole ; 3-Salicylamido-1H-1,2,4-triazole ; Benzamide, 2-hydroxy-N-1H-1,2,4-triazol-3-yl ; N-(1,2,4-Triazol-3-yl)salicylamide ; N-(2H-1,2,4-Triazol-5-yl)salicylamide ; Salicyloylaminotriazole .