U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6N3.Na
Molecular Weight 155.1324
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 5-TOLYLTRIAZOLE

SMILES

[Na+].CC1=CC2=C([N-]N=N2)C=C1

InChI

InChIKey=KFHGYFIWJGAIDK-UHFFFAOYSA-N
InChI=1S/C7H6N3.Na/c1-5-2-3-6-7(4-5)9-10-8-6;/h2-4H,1H3;/q-1;+1

HIDE SMILES / InChI

Molecular Formula C7H7N3
Molecular Weight 133.1506
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Occurrence of benzotriazoles in the rivers Main, Hengstbach, and Hegbach (Germany).
2009-09
Waste-indicator and pharmaceutical compounds in landfill-leachate-affected ground water near Elkhart, Indiana, 2000-2002.
2009-06
Detection of triazole deicing additives in soil samples from airports with low, mid, and large volume aircraft deicing activities.
2009-03
Potential-dependent sum frequency generation study of 5-methylbenzotriazole on polycrystalline copper, platinum, and gold.
2006-06-22
Characterization of aircraft deicer and anti-icer components and toxicity in airport snowbanks and snowmelt runoff.
2006-05-15
Studies of the environmental fate and effect of aircraft deicing fluids: detection of 5-methyl-1H-benzotriazole in the fathead minnow (Pimephales promelas).
2003-01
Toxicity of benzotriazole and benzotriazole derivatives to three aquatic species.
2001-02
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:54:41 GMT 2025
Edited
by admin
on Mon Mar 31 19:54:41 GMT 2025
Record UNII
Q03K5OIJ3A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-BENZOTRIAZOLE, 5-METHYL-, SODIUM SALT
Preferred Name English
SODIUM 5-TOLYLTRIAZOLE
Systematic Name English
1H-BENZOTRIAZOLE, 6-METHYL-, SODIUM SALT (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
255-281-4
Created by admin on Mon Mar 31 19:54:41 GMT 2025 , Edited by admin on Mon Mar 31 19:54:41 GMT 2025
PRIMARY
PUBCHEM
23688978
Created by admin on Mon Mar 31 19:54:41 GMT 2025 , Edited by admin on Mon Mar 31 19:54:41 GMT 2025
PRIMARY
CAS
41253-36-5
Created by admin on Mon Mar 31 19:54:41 GMT 2025 , Edited by admin on Mon Mar 31 19:54:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID9068291
Created by admin on Mon Mar 31 19:54:41 GMT 2025 , Edited by admin on Mon Mar 31 19:54:41 GMT 2025
PRIMARY
FDA UNII
Q03K5OIJ3A
Created by admin on Mon Mar 31 19:54:41 GMT 2025 , Edited by admin on Mon Mar 31 19:54:41 GMT 2025
PRIMARY