3,6-Dibromo-9H-fluoren-9-one216312-73-1
Basic information
- CAS
216312-73-1- Standard SMILES
O=C1c2ccc(Br)cc2-c2cc(Br)ccc21- InChIKey
XXZOHYHKWDLSFS-UHFFFAOYSA-N- Molecular formula
- C13H6Br2O
- Average molar mass
- 337.99 g/mol
- Monoisotopic mass
- 335.87854
Names & identifiers
- Preferred name
- 3,6-Dibromo-9H-fluoren-9-one216312-73-1
- IUPAC
- 3,6-dibromofluoren-9-one
- English name
- 3,6-Dibromo-fluoren-9-one
- Molecular formula
- C13H6Br2O
- Molecular weight
- 337.99
Names & synonyms
216312-73-1RefChem:4875043,6-Dibromo-9H-fluoren-9-one216312-73-1834-022-43,6-dibromo-9h-fluoren-9-one3,6-dibromo-fluoren-9-one3,6-dibromofluoren-9-one9H-Fluoren-9-one, 3,6-dibromo-3,6-dibromo-9-fluorenoneMFCD30478800NSC86559SCHEMBL12469932
Show more names
NSC 865596-Dibromo-fluoren-9-one3,6-Dibromofluorene-9-one3,6-Dibromo-9H-fluoren-9-on3,6-Dibromo-9H-fluorene-9-one
NSC-86559AKOS028108621CS-16395SY234667CS-0096806F187663,6-Dibromo-9H-fluoren 9-one3,6-dibr
Database identifiers
- CAS
216312-73-1- PubChem CID
- 257937
- EC Number
- 834-022-4
- Nikkaji
- J2.614.766B
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 321 °C · 321 °C
- Boiling point
- 448.5 · 448.5±38.0 °C(Predicted)
- Density
- 1.907 · 1.907±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Very Slightly), DMSO (Very Slightly, Heated)
- form
- Solid
- color
- Yellow
- InChI
- InChI=1S/C13H6Br2O/c14-7-1-3-9-11(5-7)12-6-8(15)2-4-10(12)13(9)16/h1-6H
- InChIKey
- XXZOHYHKWDLSFS-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=C(Br)C=C2)C2=C1C=CC(Br)=C2
- CAS DataBase Reference
- 216312 · 216312-73-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2914790090 · 2914790090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2914790090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses3,6-Dibromo-9H-fluoren-9-one is a reagent in the preparation of diphenylamine-fluorenone derivatives as potential fluorescent probes for neuroblastoma cell staining.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…