CAS 14348-75-5 2,7-Dibromo-9-fluorenone (HCID 259922)

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Basic information

CAS: 14348-75-5
Standard SMILES: O=C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIKey: CWGRCRZFJOXQFV-UHFFFAOYSA-N
Molecular formula: C13H6Br2O
Average molar mass: 337.99 g/mol
Monoisotopic mass: 335.87853901

Names & identifiers

Preferred name: 2,7-Dibromo-9-fluorenone
IUPAC: 2,7-dibromofluoren-9-one
English name: 2,7-Dibromo-9H-fluoren-9-one
Molecular formula: C13H6Br2O
Molecular weight: 337.99

Names & synonyms

2,7-Dibromo-9-fluorenone14348-75-5DTXSID20293558RefChem:83406DTXCID90244698604-362-62,7-dibromo-9h-fluoren-9-one2,7-dibromofluoren-9-one2,7-dibromofluorenone2,7-dibromo-fluoren-9-one9H-Fluoren-9-one, 2,7-dibromo-MFCD00010790

Show more names

2,7-Dibromo-9-fLDibroMo-9-fluoren2,7-Dibromo-9-fluore2,7-DIBROMOFLUORENONE 99+%2,7-dibromo-9H- fluorenone2,7-Dibromo-9-fluorenone>

2,7-dibromfluorenonNSC90687Maybridge1_0024272,7-dibromofluorene-9-oneDivK1c_001179NSC 90687NSC-906874,6-dichloroindole-2-c

Database identifiers

CAS: 14348-75-5
PubChem CID: 259922
DTXSID: DTXSID20293558
EC Number: 604-362-6
Nikkaji: J307.651B

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 276

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: 203 · 203-205 °C (lit.)
Boiling point: 451.4 · 451.4±38.0 °C(Predicted)
Density: 1.907 · 1.907±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Tetrahydrofuran
form: powder to crystal
color: Light orange to Yellow to Green
InChI: InChI=1S/C13H6Br2O/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6H
InChIKey: CWGRCRZFJOXQFV-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC(Br)=C2)C2=C1C=C(Br)C=C2
CAS DataBase Reference: 14348 · 14348-75-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100

Safety & regulation

GHS classification

GHS Classification · 4 items

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 46 reports by companies from 6 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

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29147000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2,7-Dibromo-9-fluorenone was used in preparation of :2,7-poly(spiro[4′,4′-dioctyl-2′,6′-dioxocyclohexane-1′,9-fluorene]), precursor polymer for the synthesis of 2,7-poly(9-fluorenone)2,7-dibromo-9-(2-methylpyridin-5-yl)fluoren-9-ol