3-(3-Nitrophenyl)-N'-(1-(4-nitrophenyl)ethylidene)-1H-pyrazole-5-carbohydrazide
Basic information
- CAS
302918-55-4- Standard SMILES
C/C(=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc([N+](=O)[O-])cc1- InChIKey
YNNMBENINUOARN-YBFXNURJSA-N- Molecular formula
- C18H14N6O5
- Average molar mass
- 394.3 g/mol
- Monoisotopic mass
- 394.10256757
Names & identifiers
- Preferred name
- 3-(3-Nitrophenyl)-N'-(1-(4-nitrophenyl)ethylidene)-1H-pyrazole-5-carbohydrazide
- IUPAC
- 3-(3-nitrophenyl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
- English name
- 5-(3-nitrophenyl)-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-3-carbohydrazide
- Molecular formula
- C18H14N6O5
- Molecular weight
- 394.34
Names & synonyms
3-(3-Nitrophenyl)-N'-(1-(4-nitrophenyl)ethylidene)-1H-pyrazole-5-carbohydrazide302918-55-4RefChem:492181651-922-0STK106095AKOS0053977593-(3-nitrophenyl)-N'-[(1E)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide3-(3-nitrophenyl)-N'-[(E)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-5-carbohydrazide5-(3-nitrophenyl)-N'-[(1Z)-1-(4-nitrophenyl)ethylidene]-1H-pyrazole-3-carbohydrazide
Database identifiers
- CAS
302918-55-4- PubChem CID
- 9656102
- EC Number
- 651-922-0
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 652
Physicochemical properties
- Density
- 1.502 · 1.502±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.683 · 7.683±0.46(predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335-H301
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
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 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 CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H315-H319-H335-H301
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…