Basic information
- CAS
306977-34-4- Standard SMILES
O=[N+]([O-])c1ccc(NN=C(c2cccnc2)c2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1- InChIKey
OEOODZZHZNHPDW-UHFFFAOYSA-N- Molecular formula
- C18H10ClF3N6O4
- Average molar mass
- 466.8 g/mol
Names & identifiers
- Preferred name
- N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]-2,4-dinitroaniline
- IUPAC
- N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]-2,4-dinitroaniline
- English name
- [3-Chloro-5-(trifluoromethyl)-2-pyridinyl](3-pyridinyl)methanone N-(2,4-dinitrophenyl)hydrazone
- Molecular formula
- C18H10ClF3N6O4
- Molecular weight
- 466.76
Names & synonyms
[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](3-pyridinyl)methanone N-(2,4-dinitrophenyl)hydrazoneMethanone, [3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl-, 2-(2,4-dinitrophenyl)hydrazone3-chloro-2-[(1Z)-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene](pyridin-3-yl)methyl]-5-(trifluoromethyl)pyridine
Database identifiers
- CAS
306977-34-4
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 716
Physicochemical properties
- Boiling point
- 571.8 · 571.8±60.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 6.39 · 6.39±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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