2-Brom-9H-fluoren

2-Bromo-9H-fluorene

HCID 14336CAS 1133-80-8

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Grundinformationen

Standard-SMILES: Brc1ccc2c(c1)Cc1ccccc1-2
InChIKey: FXSCJZNMWILAJO-UHFFFAOYSA-N
Summenformel: C13H9Br
Durchschnittliche Molmasse: 245,11 g/mol
Monoisotopische Masse: 243,98876239

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-9H-fluorene
IUPAC: 2-bromo-9H-fluorene
Lokaler Name: 2-Brom-9H-fluoren
Englischer Name: 2-Bromofluorene
Summenformel: C13H9Br
Molmasse: 245.11

Namen und Synonyme

2-Bromofluorene2-BROMO-9H-FLUORENE9H-Fluorene, 2-bromo-EINECS 214-480-6AI3-00816DTXSID00150357NSC 14632Bromo9Hfluorene9HFluorene, 2bromoRefChem:467114DTXCID1072848214-480-6

Weitere Namen anzeigen

EAFC2-BromofL2-Brom-fluoren2-Bromofluorene>2-Bromofluorene 95%2-Bromofluorene,95%2-broMo-2H-fluorene

InChI=1/C13H9Br/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H1133-80-8MFCD00001115J2DF3P68J29H-Fluorene,2-bromo2-Bromo-9H-fluorene #SCHEMBL415882NSC-1463

Datenbank-Bezeichner

CAS: 1133-80-8
PubChem CID: 14336
DTXSID: DTXSID00150357
UNII: J2DF3P68J2
EC Number: 214-480-6
Nikkaji: J149.817G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,5
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 213

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Vapor Pressure0.0000751 [mmHg]

Physical DescriptionWhite to light yellow crystalline powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 112 · 112-114 °C (lit.)
Siedepunkt: 185 °C/135 · 185 °C/135 mmHg (lit.)
Dichte: 1.4187 · 1.4187 (rough estimate)
Brechungsindex: 1.629 · 1.6290 (estimate)
Flammpunkt: 185 °C/135mm · 185°C/135mm
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Soluble in chloroform and ethyl acetate.
Aggregatzustand: Slightly Crystalline Powder or Flakes
Farbe: White to slightly yellow
BRN: 1946701 · 1946701
InChI: InChI=1S/C13H9Br/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKey: FXSCJZNMWILAJO-UHFFFAOYSA-N
SMILES: C1C2=C(C=CC=C2)C2=C1C=C(Br)C=C2
CAS Datenbank: 1133 · 1133-80-8(CAS DataBase Reference)
NIST chemische Informationen: 9 H-Fluorene, · 9H-Fluorene, 2-bromo-(1133-80-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 1.9% (1 of 53) of reports.

Warning

H315 (98.1%): 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 53 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 28-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18175

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesSkin Irrit. 2 (98.1%)

Sicherheitsdaten

wgk: 3
hs_code: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Bromofluorene was used in the synthesis of end-capping reagent 2-bromo-9,9-di-nhexylfluorene. It has been used in the preparation of poly(di-n-hexylfluorene)s end capped with 2-bromofluorene, 2-bromo-9,9-di-n-hexylfluorene and 9-bromoanthracene through Ni(0) mediated polymerization. It was also used in the synthesis of 2-bromo-9,9-dihexylfluorene.