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2-Hydroxy-N-1H-1,2,4-triazol-3-ylbenzamide

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Name

2-Hydroxy-N-1H-1,2,4-triazol-3-ylbenzamide

EINECS 253-021-4
CAS No. 36411-52-6 Density 1.552
PSA 90.90000 LogP 0.83560
Solubility N/A Melting Point 275-276 ºC
Formula C9H8 N4 O2 Boiling Point °Cat760mmHg
Molecular Weight 204.188 Flash Point °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 36411-52-6 (Salicyloylaminotriazole) Hazard Symbols N/A
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

 

2-Hydroxy-N-1H-1,2,4-triazol-3-ylbenzamide Chemical Properties

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

2-Hydroxy-N-1H-1,2,4-triazol-3-ylbenzamide 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.

2-Hydroxy-N-1H-1,2,4-triazol-3-ylbenzamide 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.

2-Hydroxy-N-1H-1,2,4-triazol-3-ylbenzamide 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 .

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