4-Chloro-2-hydroxy-N'-((Z)-1-(5-methyl-1-(3-nitrophenyl)-1H-1,2,3-triazol-4-YL)ethylidene)benzohydrazide
Basic information
- CAS
624725-58-2- Standard SMILES
C/C(=N/NC(=O)c1ccc(Cl)cc1O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C- InChIKey
NREIHHHQOMXMBW-JMIUGGIZSA-N- Molecular formula
- C18H15ClN6O4
- Average molar mass
- 414.8 g/mol
- Monoisotopic mass
- 414.0843307
Names & identifiers
- Preferred name
- 4-Chloro-2-hydroxy-N'-((Z)-1-(5-methyl-1-(3-nitrophenyl)-1H-1,2,3-triazol-4-YL)ethylidene)benzohydrazide
- IUPAC
- 4-chloro-2-hydroxy-N-[(Z)-1-[5-methyl-1-(3-nitrophenyl)triazol-4-yl]ethylideneamino]benzamide
Names & synonyms
624725-58-24-chloro-2-hydroxy-N'-{(Z)-1-[5-methyl-1-(3-nitrophenyl)-1H-1,2,3-triazol-4-yl]ethylidene}benzohydrazide4-Chloro-2-hydroxy-N'-((Z)-1-(5-methyl-1-(3-nitrophenyl)-1H-1,2,3-triazol-4-YL)ethylidene)benzohydrazideRefChem:521084649-492-4AKOS024413218
Database identifiers
- CAS
624725-58-2- PubChem CID
- 5904096
- EC Number
- 649-492-4
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 644
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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