2-Bromo-9,9-di-n-octylfluorene

HCID 12964693

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Basic information

CAS: 302554-80-9
Standard SMILES: CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(Br)cc21
InChIKey: ITVGRPGDCPNGHZ-UHFFFAOYSA-N
Molecular formula: C29H41Br
Average molar mass: 469.5 g/mol
Monoisotopic mass: 468.23916341

Names & identifiers

Preferred name: 2-Bromo-9,9-di-n-octylfluorene
IUPAC: 2-bromo-9,9-dioctylfluorene
English name: 2-Bromo-9,9-dioctyl fluorene
Molecular formula: C29H41Br
Molecular weight: 469.54

Names & synonyms

2-Bromo-9,9-di-n-octylfluoreneRefChem:467103807-973-8302554-80-92-BROMO-9,9-DIOCTYL-9H-FLUORENE2-BROMO-9,9-DIOCTYL FLUORENE2-Bromo-9,9-dioctylfluorene9H-Fluorene, 2-bromo-9,9-dioctyl-MFCD120242739,9-dioctyl-2-bromofluorene2-bromo-9,9-bis(n-octyl)fluorene2-bromo-9,9-dioctyl-fluorene

Show more names

2-bromo-9,9-dioctyl-9H- 3-fluorene2-Bromo-9,9-di-n-octylfluorene >2-Bromo-9,9-(di-n-octyl)-9H-fluorene

SCHEMBL1923129SCHEMBL29789010DTXSID00514137ITVGRPGDCPNGHZ-UHFFFAOYSA-NRB31842-bromo-9,9-di-(n-octyl)-fluoreneAKOS015901349AS-3248

Database identifiers

CAS: 302554-80-9
PubChem CID: 12964693
DTXSID: DTXSID00514137
EC Number: 807-973-8
Nikkaji: J1.699.615G

Properties

Computed structural properties

XLogP: 12.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 14
Heavy atoms: 30
Formal charge: 0
Complexity: 441

Physicochemical properties

Boiling point: 120 °C · 120°C(lit.)
Density: 1.076 · 1.076
refractive index: 1.552 to · 1.5520 to 1.5560
storage temp.: Refrigerator, under inert atmosphere
solubility: Chloroform (Slightly), DMSO (Slightly)
form: Oil
color: Light Beige
InChI: InChI=1S/C29H41Br/c1-3-5-7-9-11-15-21-29(22-16-12-10-8-6-4-2)27-18-14-13-17-25(27)26-20-19-24(30)23-28(26)29/h13-14,17-20,23H,3-12,15-16,21-22H2,1-2H3
InChIKey: ITVGRPGDCPNGHZ-UHFFFAOYSA-N
SMILES: C1(CCCCCCCC)(CCCCCCCC)C2=C(C=CC=C2)C2=C1C=C(Br)C=C2
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2903.99 · 2903.99.8001

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2903.99.8001
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications · 1 item

Uses9,9-Dioctyl-2-bromofluorene can be used to prepare organic electroluminescent materials. As a novel type of organic semiconductor material, organic electroluminescent materials have potential commercial applications in fields such as light-emitting diodes and solar cells due to their advantages such as high luminous efficiency and simple device fabrication processes. Among them, polyfluorene conjugated polymers are an ideal material for emitting blue light.