Basic information
- CAS
18247-80-8- Standard SMILES
CC(=O)C(Cl)=NNc1ccc([N+](=O)[O-])cc1- InChIKey
FJTPZIFCLVITGT-UHFFFAOYSA-N- Molecular formula
- C9H8ClN3O3
- Average molar mass
- 241.63 g/mol
- Monoisotopic mass
- 241.0254188
Names & identifiers
- Preferred name
- Propanehydrazonoyl chloride, N-(4-nitrophenyl)-2-oxo-
- IUPAC
- N-(4-nitrophenyl)-2-oxopropanehydrazonoyl chloride
- English name
- N-(4-Nitrophenyl)-2-oxopropanehydrazonic acid chloride
- Molecular formula
- C9H8ClN3O3
- Molecular weight
- 241.63
Names & synonyms
18247-80-8Propanehydrazonoyl chloride, N-(4-nitrophenyl)-2-oxo-DTXSID8066347RefChem:868983DTXCID7035800n-(4-nitrophenyl)-2-oxopropanehydrazonoyl chlorideSCHEMBL8590931N-(4-Nitrophenyl)-2-oxopropanehydrazonic acid chlorideFJTPZIFCLVITGT-UHFFFAOYSA-N1-Chloro-1-[2-(4-nitrophenyl)hydrazono]-2-propanone1-(1-Chloro-2-oxopropylidene)-2-(p-nitrophenyl)hydrazine
Database identifiers
- CAS
18247-80-8- PubChem CID
- 86687
- DTXSID
DTXSID8066347
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 195 · 195-197 °C(Solvent: 1,4-Dioxane)
- Boiling point
- 380.164 · 380.164±44.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.425 · 1.425±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.283 · 9.283±0.10(predicted)
- EPA Substance Registry System
- Propanehydrazonoyl chloride, N-(4-nitrophenyl)-2-oxo- (18247-80-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanehydrazonoyl chloride, N-(4-nitrophenyl)-2-oxo-: INACTIVE
Related reactions
1 records
Compound notes
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