Basic information
- CAS
16433-88-8- Standard SMILES
Brc1ccc2c(c1)Cc1cc(Br)ccc1-2- InChIKey
AVXFJPFSWLMKSG-UHFFFAOYSA-N- Molecular formula
- C13H8Br2
- Average molar mass
- 324.01 g/mol
- Monoisotopic mass
- 321.89928
Names & identifiers
- Preferred name
- 2,7-Dibromofluorene
- IUPAC
- 2,7-dibromo-9H-fluorene
- English name
- 2,7-Dibromofluorene
- Molecular formula
- C13H8Br2
- Molecular weight
- 324.01
Names & synonyms
2,7-Dibromofluorene16433-88-89H-Fluorene, 2,7-dibromo-Fluorene, 2,7-dibromo-DTXSID60167744NSC 90686RefChem:83409DTXCID2090235629-430-2AVXFJPFSWLMKSG-UHFFFAOYSA-N2,7-Dibromo-9H-fluoreneMFCD00019048
Show more names
DibromofluoreneM80302,7-DibromofL7-DibroMofluorene2,7-DibroMoflureneTIMTEC-BB SBB0076912,7-DibroMo-9H-fluoren
C13H8Br22,7-dibromfluorenNSC90686Fluorene,7-dibromo-2, 7-dibromofluorene2,7-di bromo fluorene9H-Fluorene,7-dibromo-NCIOpen2_009621
Database identifiers
- CAS
16433-88-8- PubChem CID
- 140073
- DTXSID
DTXSID60167744- EC Number
- 629-430-2
- Nikkaji
- J82.506I
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 164 · 164-166 °C (lit.)
- Boiling point
- 329.77 °C · 329.77°C (rough estimate)
- Density
- 1.7203 · 1.7203 (estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly)
- form
- Crystalline Powder
- color
- White to off-white
- BRN
- 2049205 · 2049205
- InChI
- InChI=1S/C13H8Br2/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5H2
- InChIKey
- AVXFJPFSWLMKSG-UHFFFAOYSA-N
- SMILES
- C1C2=C(C=CC(Br)=C2)C2=C1C=C(Br)C=C2
- CAS DataBase Reference
- 16433 · 16433-88-8(CAS DataBase Reference)
- NIST Chemistry Reference
- 9 H-fluorene, · 9H-fluorene, 2,7-dibromo-(16433-88-8)
- UNSPSC Code
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- T
- hs_code
- 29420000
- 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
Chemistry & industry
Applications
Description2,7-Dibromofluorene is a halogenated polycyclic aromatic compound and its vapour pressure has been measured using the Knudsen effusion method.
Uses2,7-Dibromofluorene is used as a template for the N-carbazole capped oligofluorenes which show potential as hole-transporting materials for organic light emitting devices (OLEDs). It is also used in the synthesis of conjugated polymer, poly[9,9-bis(6-N,N,N-trimethylammonium)hexyl)fluorene-co-alt-4,7-(2,1,3-benzothiadiazole) dibromide] (PFBT), used in label-free DNA microarrays, in the preparation of blue photoluminescent unsymmetrically substituted polyfluorene and in the preparation of 2,7-dibromofluorene monomers containing benzyl ether dendrons (generations 1, 2 and 3) in the 9,9-position of the fluorene ring, such as: 9,9-bis[(3,5-bis(benzyloxy)benzyloxy)methyl]-2,7-dibromofluorene, 9,9-bis[(3,5-bis(3,5-bis(benzyloxy)benzyloxy)benzyloxy)-methyl] 2,7-dibromo-fluorene, 9,9-bis[(3,5-bis(3,5-bis(3,5-bis(benzyloxy)benzyloxy)benzyloxy) benzyloxy)-methyl]-2,7-dibromofluorene.
Uses2,7-Dibromofluorene was used as a template for the N-carbazole capped oligofluorenes which show potential as hole-transporting materials for organic light emitting devices (OLEDs). It may be used in the synthesis of conjugated polymer, poly[9,9′-bis(6′′-N,N,N-trimethylammonium)hexyl)fluorene-co-alt-4,7-(2,1,3-benzothiadiazole) dibromide] (PFBT), used in label-free DNA microarrays. It was used in the preparartion of blue photoluminescent unsymmetrically substituted polyfluorene. It was also used in the preparation of 2,7-dibromofluorene monomers containing benzyl ether dendrons (generations 1, 2 and 3) in the 9,9′-position of the fluorene ring, such as:9,9-bis[(3,5-bis(benzyloxy)benzyloxy)methyl]-2,7-dibromofluorene9,9-bis[(3,5-bis(3,5-bis(benzyloxy)benzyloxy)benzyloxy)-methyl] 2,7-dibromo-fluorene9,9-bis[(3,5-bis(3,5-bis(3,5-bis(benzyloxy)benzyloxy)benzyloxy) benzyloxy)-methyl]-2,7-dibromofluorene
Uses2,7-Dibromofluorene was used as a template for the N-carbazole capped oligofluorenes which show potential as hole-transporting materials for organic light emitting devices (OLEDs). It may be used in the synthesis of conjugated polymer, poly[9,9′-bis(6′′-N,N,N-trimethylammonium)hexyl)fluorene-co-alt-4,7-(2,1,3-benzothiadiazole) dibromide] (PFBT), used in label-free DNA microarrays. It was used in the preparartion of blue photoluminescent unsymmetrically substituted polyfluorene. It was also used in the preparation of 2,7-dibromofluorene monomers containing benzyl ether dendrons (generations 1, 2 and 3) in the 9,9′-position of the fluorene ring, such as:9,9-bis[(3,5-bis(benzyloxy)benzyloxy)methyl]-2,7-dibromofluorene9,9-bis[(3,5-bis(3,5-bis(benzyloxy)benzyloxy)benzyloxy)-methyl] 2,7-dibromo-fluorene9,9-bis[(3,5-bis(3,5-bis(3,5-bis(benzyloxy)benzyloxy)benzyloxy) benzyloxy)-methyl]-2,7-dibromofluorene
Related reactions
81 records
Compound notes
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