2-Anthracenecarbonyl chloride, 4-amino-9,10-dihydro-1-nitro-9,10-dioxo-
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Basic information
- CAS
63589-36-6- Standard SMILES
Nc1cc(C(=O)Cl)c([N+](=O)[O-])c2c1C(=O)c1ccccc1C2=O- InChIKey
WQZALXCFYNANEH-UHFFFAOYSA-N- Molecular formula
- C15H7ClN2O5
- Average molar mass
- 330.68 g/mol
- Monoisotopic mass
- 330.004349
Names & identifiers
- Preferred name
- 2-Anthracenecarbonyl chloride, 4-amino-9,10-dihydro-1-nitro-9,10-dioxo-
- IUPAC
- 4-amino-1-nitro-9,10-dioxoanthracene-2-carbonyl chloride
- English name
- 4-Amino-9,10-dihydro-1-nitro-9,10-dioxo-2-anthracenecarboxylic acid chloride
- Molecular formula
- C15H7ClN2O5
- Molecular weight
- 330.68
Names & synonyms
63589-36-62-Anthracenecarbonyl chloride, 4-amino-9,10-dihydro-1-nitro-9,10-dioxo-DTXSID1069958RefChem:465246DTXCID20440024-Amino-9,10-dihydro-1-nitro-9,10-dioxo-2-anthracenecarboxylic acid chlorideWQZALXCFYNANEH-UHFFFAOYSA-N4-AMINO-1-NITRO-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-CARBONYL CHLORIDEDB-295184
Database identifiers
- CAS
63589-36-6- PubChem CID
- 5485989
- DTXSID
DTXSID1069958- Nikkaji
- J429.611G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 575
Physicochemical properties
- Boiling point
- 614.6 · 614.6±55.0 °C(Predicted)
- Density
- 1.656 · 1.656±0.06 g/cm3(Predicted)
- pka
- -5.03 · -5.03±0.20(Predicted)
- EPA Substance Registry System
- 2 · 2-Anthracenecarbonyl chloride, 4-amino-9,10-dihydro-1-nitro-9,10-dioxo- (63589-36-6)
- 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 Information2-Anthracenecarbonyl chloride, 4-amino-9,10-dihydro-1-nitro-9,10-dioxo-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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