2-Methyl-3-nitro-N-{2-[((2E)-2-{1-[3-(1H-tetraazol-1-YL)phenyl]ethylidene}hydrazino)carbonyl]phenyl}benzamide
Basic information
- CAS
478252-10-7- Standard SMILES
C/C(=N\NC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(-n2cnnn2)c1- InChIKey
WYVGXKQUSWFLGA-JVWAILMASA-N- Molecular formula
- C24H20N8O4
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.16075115
Names & identifiers
- Preferred name
- 2-Methyl-3-nitro-N-{2-[((2E)-2-{1-[3-(1H-tetraazol-1-YL)phenyl]ethylidene}hydrazino)carbonyl]phenyl}benzamide
- IUPAC
- 2-methyl-3-nitro-N-[2-[[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]carbamoyl]phenyl]benzamide
Names & synonyms
478252-10-72-METHYL-3-NITRO-N-{2-[((2E)-2-{1-[3-(1H-TETRAAZOL-1-YL)PHENYL]ETHYLIDENE}HYDRAZINO)CARBONYL]PHENYL}BENZAMIDE2-METHYL-3-NITRO-N-(2-(((2E)-2-(1-(3-(1H-TETRAAZOL-1-YL)PHENYL)ETHYLIDENE)HYDRAZINO)CARBONYL)PHENYL)BENZAMIDERefChem:475378633-573-6AKOS024407709
Database identifiers
- CAS
478252-10-7- PubChem CID
- 9655892
- EC Number
- 633-573-6
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 833
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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