Grundinformationen
- Standard-SMILES
O=C(O)CC1c2ccccc2-c2ccccc21- InChIKey
WFSMJMTYIMFHPV-UHFFFAOYSA-N- Summenformel
- C15H12O2
- Durchschnittliche Molmasse
- 224,25 g/mol
- Monoisotopische Masse
- 224,08372962
Überblick
used for tagging silica-based derivatization reagents in HPLC
Namen und Bezeichner
- Bevorzugter Name
- Fluorene-9-acetic acid
- IUPAC
- 2-(9H-fluoren-9-yl)acetic acid
- Englischer Name
- Fluorene-9-acetic acid
- Summenformel
- C15H12O2
- Molmasse
- 224.25
Namen und Synonyme
6284-80-69-Fluoreneacetic acidFluorene-9-acetic acid9-FluoreneacetateDTXSID50212015RefChem:459407DTXCID501345062-(9H-fluoren-9-yl)acetic acid(9H-Fluoren-9-yl)acetic acid9H-Fluorene-9-acetic acidMFCD00013262fluoren-9-acetic acid
Weitere Namen anzeigen
9-FluoreneaceticFluorene-9-aceticaci9-FLUORENYLACETIC ACID9-FluoreneaceticAcid>Fluoroene-9-acetic Acid9-Fluoreneacetic acid 99%
SCHEMBL423709-Fluoreneacetic acid, 99%CHEMBL44381(9H-Fluoren-9-yl)-acetic acidAC-4879SY0486742-fluoren-9-ylacetic acidEN300-1833850
Datenbank-Bezeichner
- CAS
6284-80-6- PubChem CID
- 94852
- DTXSID
DTXSID50212015- ChEMBL
CHEMBL44381- EC Number
- 613-090-7
- Nikkaji
- J414.333G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 277
Physikochemische Eigenschaften
- Schmelzpunkt
- 133 · 133-135 °C (lit.)
- Siedepunkt
- 325.66 °C · 325.66°C (rough estimate)
- Dichte
- 1.1139 · 1.1139 (rough estimate)
- Brechungsindex
- 1.66 · 1.6600 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- 3.9 · 3.90±0.10(Predicted)
- Farbe
- White to Yellow
- Wasserlöslichkeit
- Soluble in water.
- BRN
- 1969039 · 1969039
- InChI
- 1S/C15H12O2/c16-15(17)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,16,17)
- InChIKey
- WFSMJMTYIMFHPV-UHFFFAOYSA-N
- SMILES
- OC(=O)CC1c2ccccc2-c3ccccc13
- CAS Datenbank
- 6284 · 6284-80-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29163900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenIt was used in preparation of pyrokinin class of insect neuropeptides. It was also used in preparation of N-(9-fluoreneacetyl)-L-leucine.
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