4-Amino-2,5,7-trichloro-9h-fluoren-9-one
Basic information
- CAS
37568-13-1- Standard SMILES
Nc1cc(Cl)cc2c1-c1c(Cl)cc(Cl)cc1C2=O- InChIKey
SZWUDYFXBIRFPA-UHFFFAOYSA-N- Molecular formula
- C13H6Cl3NO
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 296.951497
Overview
See also: 4-Amino-2,5,7-trichloro-9-fluorenone (annotation moved to).
Names & identifiers
- Preferred name
- 4-Amino-2,5,7-trichloro-9h-fluoren-9-one
- IUPAC
- 4-amino-2,5,7-trichlorofluoren-9-one
- English name
- 4-Amino-2,5,7-trichloro-9-fluorenone
- Molecular formula
- C13H6Cl3NO
- Molecular weight
- 298.55
Names & synonyms
4-amino-2,5,7-trichloro-9h-fluoren-9-one37568-13-1NSC1446074-amino-2,5,7-trichloro-fluoren-9-oneSCHEMBL7227264DTXSID80958636AKOS024337430NSC-144607DS-0148274-Amino-2,5,7-trichloro-9-fluorenone9H-Fluoren-9-one, 4-amino-2,5,7-trichloro-
Database identifiers
- CAS
37568-13-1- PubChem CID
- 286428
- DTXSID
DTXSID80958636
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Boiling point
- 530.8 · 530.8±50.0 °C(Predicted)
- Density
- 1.631 · 1.631±0.06 g/cm3(Predicted)
- pka
- 0.26 · 0.26±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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