Fluoren-1-carbonsure

Fluorene-1-carboxylic acid

HCID 80468CAS 6276-03-5

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Grundinformationen

Standard-SMILES: O=C(O)c1cccc2c1Cc1ccccc1-2
InChIKey: HTPXFGUCAUTOEL-UHFFFAOYSA-N
Summenformel: C14H10O2
Durchschnittliche Molmasse: 210,23 g/mol
Monoisotopische Masse: 210,06807956

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name: Fluorene-1-carboxylic acid
IUPAC: 9H-fluorene-1-carboxylic acid
Lokaler Name: Fluoren-1-carbonsure
Englischer Name: 1-Fluorenecarboxylic acid
Summenformel: C14H10O2
Molmasse: 210.23

Namen und Synonyme

9h-fluorene-1-carboxylic acidFluorene-1-carboxylic acid6276-03-5AO792VD660NSC-36445DTXSID40211830RefChem:140879DTXCID70134321228-472-51-FLUORENECARBOXYLIC ACIDMFCD00001130fluorenecarboxylic acid

Weitere Namen anzeigen

1-FluorenecarboxylicAci1-FluorenecarboxylicAcid>9H-FLUORENE-1-CARBOXYLIC ACID

9H-Fluorene-1-carboxylicacidNSC364451-CARBOXYFLUORENE1-fluorene carboxylic acidSCHEMBL67699SCHEMBL1567078SCHEMBL3452749SCHEMBL6842140

Datenbank-Bezeichner

CAS: 6276-03-5
PubChem CID: 80468
DTXSID: DTXSID40211830
UNII: AO792VD660
EC Number: 228-472-5
Nikkaji: J211.513A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 286

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

Physical DescriptionPowder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 246 · 246-248 °C (lit.)
Siedepunkt: 100 °C · 100 °C / 12mmHg
Dichte: 1.306 · 1.306±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Tetrahydrofuran
Aggregatzustand: powder to crystal
pka: 4.11 · 4.11±0.20(Predicted)
Farbe: Light orange to Yellow to Green
InChI: 1S/C14H10O2/c15-14(16)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-7H,8H2,(H,15,16)
InChIKey: HTPXFGUCAUTOEL-UHFFFAOYSA-N
SMILES: OC(=O)c1cccc-2c1Cc3ccccc-23
CAS Datenbank: 6276 · 6276-03-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Sicherheitsdaten

wgk: 3
hs_code: 29163900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36/37/39-27-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Fluorenecarboxylic Acid is an intermediate used in the synthesis of Fluoren-1-ol (F462450), which is a metabolite of the PAH micropollutant Fluorene (F462002) with potential mutagenic effects. It is used as biomarkers to evaluate exposure to PAHs and environmental tobacco smoke in general population. Also, it possesses interface electronic properties. Achiral fluorescent agent.