N-(1,2,4)Triazol-4-YL-benzamide
Basic information
- CAS
13213-82-6- Standard SMILES
O=C(Nn1cnnc1)c1ccccc1- InChIKey
QLANQXWHADSQNX-UHFFFAOYSA-N- Molecular formula
- C9H8N4O
- Average molar mass
- 188.19 g/mol
- Monoisotopic mass
- 188.06981089
Names & identifiers
- Preferred name
- N-(1,2,4)Triazol-4-YL-benzamide
- IUPAC
- N-(1,2,4-triazol-4-yl)benzamide
Names & synonyms
13213-82-6N-(1,2,4)triazol-4-yl-benzamideRefChem:823322683-521-1N-(4H-1,2,4-triazol-4-yl)benzamideTimTec1_0051174-benzamido-1,2,4-triazoleSCHEMBL12841358HMS1548I13STK395631AKOS000506063phenyl-N-(1,2,4-triazol-4-yl)carboxamide
Show more names
ST4145327SR-01000402438SR-01000402438-1F0900-5718
Database identifiers
- CAS
13213-82-6- PubChem CID
- 676579
- EC Number
- 683-521-1
- Nikkaji
- J3.555.346K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Compound notes
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