3-Nitro-N-(3-((3-nitrobenzoyl)amino)phenyl)benzamide
Basic information
- CAS
4233-27-6- Standard SMILES
O=C(Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1- InChIKey
RVXLBJBAHDYPSI-UHFFFAOYSA-N- Molecular formula
- C20H14N4O6
- Average molar mass
- 406.3 g/mol
- Monoisotopic mass
- 406.09133418
Names & identifiers
- Preferred name
- 3-Nitro-N-(3-((3-nitrobenzoyl)amino)phenyl)benzamide
- IUPAC
- 3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide
- English name
- 3-Nitro-N-(3-((3-nitrobenzoyl)amino)phenyl)benzamide
- Molecular formula
- C20H14N4O6
- Molecular weight
- 406.34836
Names & synonyms
3-NITRO-N-(3-((3-NITROBENZOYL)AMINO)PHENYL)BENZAMIDERefChem:5044564233-27-6670-131-1AKOS003889493
Database identifiers
- CAS
4233-27-6- PubChem CID
- 3534698
- EC Number
- 670-131-1
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 607
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H317-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H317-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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Related reactions
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Compound notes
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