2-chloroacridin-9(10H)-one
Basic information
- CAS
7497-52-1- Standard SMILES
O=c1c2ccccc2[nH]c2ccc(Cl)cc12- InChIKey
WNLFUMVKGWEXBI-UHFFFAOYSA-N- Molecular formula
- C13H8ClNO
- Average molar mass
- 229.66 g/mol
- Monoisotopic mass
- 229.0294416
Names & identifiers
- Preferred name
- 2-chloroacridin-9(10H)-one
- IUPAC
- 2-chloro-10H-acridin-9-one
- English name
- 2-Chloroacridin-9(10H)-one
- Molecular formula
- C13H8ClNO
- Molecular weight
- 229.66
Names & synonyms
2-chloroacridin-9(10H)-one7497-52-1DTXSID90331294RefChem:1062837DTXCID402823882-chloro-10H-acridin-9-oneMFCD002232582-chloroacridone2-chloro-9-acridanoneNSC4066152-chloro-9(10h)-acridinoneCHEMBL252254
Show more names
NSC 406615
SCHEMBL13833009AKOS0022064129(10H)-Acridinone, 2-chloro-2-Chloro-9(10H)-acridinone; 2-Chloro-9-acridanone; 2-Chloroacridin-9(10H)-one; 2-Chloroacridone; NSC 4066152-CHLORO-9,10-DIHYDROACRIDIN-9-ONE2-chloro-10-hydroacridin-9-oneSTL022523CS-W002533
Database identifiers
- CAS
7497-52-1- PubChem CID
- 437003
- DTXSID
DTXSID90331294- ChEMBL
CHEMBL252254- Nikkaji
- J637.947H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Melting point
- 312 · 312-314 °C(Solvent: Acetic acid)
- Boiling point
- 394.207 · 394.207±31.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -0.834 · -0.834±0.50(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloroacridin-9(10H)-one is a fluorescent molecule formed from the hydrolysis of oxazepam in urine. Acridone analogs that possesses in vitro anticancer activity Ehrlich Ascites Carcinoma (EAC) cells.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…