Basic information
- CAS
36411-52-6- Standard SMILES
O=C(Nc1ncn[nH]1)c1ccccc1O- InChIKey
MZZYGYNZAOVRTG-UHFFFAOYSA-N- Molecular formula
- C9H8N4O2
- Average molar mass
- 204.19 g/mol
- Monoisotopic mass
- 204.06472551
Overview
synthetic chelating agent used chiefly to inhibit corrosion of copper
Names & identifiers
- Preferred name
- Salicyloylaminotriazole
- IUPAC
- 2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
- English name
- Salicyloylaminotriazole
- Molecular formula
- C9H8N4O2
- Molecular weight
- 204.19
Names & synonyms
36411-52-6Salicyloylaminotriazole3-(Salicyloylamino)-1,2,4-triazoleMARK 14753-(N-Salicyloyl)amino-1,2,4-triazoleN-(1,2,4-Triazol-3-yl)salicylamideZFV6FN7NKVNSC-332171RefChem:495679253-021-42-Hydroxy-N-(1H-1,2,4-triazol-3-yl)benzamide2-Hydroxy-N-1H-1,2,4-triazol-3-ylbenzamide
Show more names
3-(Salicyloylamino)-1H-1,2,4-triazolen-(2h-1,2,4-triazol-5-yl)-salicylamidN-(2h-1,2,4-Triazol-5-Yl)-Salicylamide3-(N-Salicyloylamino)-1H-1,2,4-triazole
2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide2-hydroxy-n-(4h-1,2,4-triazol-3-yl)benzamideBenzamide, 2-hydroxy-N-1H-1,2,4-triazol-3-yl-N-(2H-1,2,4-Triazol-5-yl)salicylamide3-Salicylamido-1H-1,2,4-triazoleMFCD00239045NSC 3321713-(N-Salicyloylamino)-1,2,4-triazole
Database identifiers
- CAS
36411-52-6- PubChem CID
- 94473
- DTXSID
DTXSID5052040
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Experimental & physicochemical properties
Solubility26 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionDry Powder
Physicochemical properties
- Melting point
- 275 · 275-276°C
- Density
- 1.552 · 1.552
- vapor pressure
- 0.004 Pa · 0.004Pa at 25℃
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly)
- pka
- 7.99 · 7.99±0.30(Predicted)
- form
- Solid
- color
- White to Off-White
- 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
- SMILES
- C(NC1NN=CN=1)(=O)C1=CC=CC=C1O
- LogP
- 1.41 at · 1.41 at 21.8℃ and pH5.8
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 87.5% (7 of 8) of all reports.
Danger
H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P316, P301+P317, P330, P331, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzamide, 2-hydroxy-N-1H-1,2,4-triazol-3-yl-
Benzamide, 2-hydroxy-N-1H-1,2,4-triazol-5-yl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzamide, 2-hydroxy-N-1H-1,2,4-triazol-5-yl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2-hydroxy-N-1H-1,2,4-triazol-3-ylbenzamide (EC: 253-021-4)
Hazard Classes and CategoriesAcute Tox. 4 (12.5%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- REACH Registrations
- Active
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
U.S. Production2022: 32,826 lb
General Manufacturing InformationBenzamide, 2-hydroxy-N-1H-1,2,4-triazol-5-yl-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers56 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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