Basic information
- CAS
33581-01-0- Standard SMILES
CCc1cccc(CC)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
KLVKOTOSOWBSMY-UHFFFAOYSA-N- Molecular formula
- C17H17N3O5
- Average molar mass
- 343.33 g/mol
- Monoisotopic mass
- 343.11682065
Names & identifiers
- Preferred name
- 2',6'-Diethyl-3,5-dinitrobenzanilide
- IUPAC
- N-(2,6-diethylphenyl)-3,5-dinitrobenzamide
- English name
- 2',6'-Diethyl-3,5-dinitrobenzanilide
- Molecular formula
- C17H17N3O5
- Molecular weight
- 343.33
Names & synonyms
2',6'-DIETHYL-3,5-DINITROBENZANILIDERefChem:439494666-016-0N-(2,6-diethylphenyl)-3,5-dinitrobenzamide33581-01-0benzamide, n-(2,6-diethylphenyl)-3,5-dinitro-Oprea1_872050DTXSID70955210STK417752AKOS002288993ST50552102N-(2,6-diethylphenyl)(3,5-dinitrophenyl)carboxamide
Show more names
N-(2,6-Diethylphenyl)-3,5-dinitrobenzene-1-carboximidic acid
Database identifiers
- CAS
33581-01-0- PubChem CID
- 186166
- DTXSID
DTXSID70955210- EC Number
- 666-016-0
- Nikkaji
- J1.582.183C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- Boiling point
- 427.4 · 427.4±45.0 °C(Predicted)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- pka
- 11.77 · 11.77±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · 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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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