9-Fluorenone-4-carbonyl chloride

HCID 610142CAS 7071-83-2

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Grundinformationen

Standard-SMILES: O=C(Cl)c1cccc2c1-c1ccccc1C2=O
InChIKey: XKCGWCQMEUASJF-UHFFFAOYSA-N
Summenformel: C14H7ClO2
Durchschnittliche Molmasse: 242,65 g/mol
Monoisotopische Masse: 242,0134572

Namen und Bezeichner

Bevorzugter Name: 9-Fluorenone-4-carbonyl chloride
IUPAC: 9-oxofluorene-4-carbonyl chloride
Englischer Name: 9-FLUORENONE-4-CARBONYL CHLORIDE
Summenformel: C14H7ClO2
Molmasse: 242.66

Namen und Synonyme

9-Fluorenone-4-carbonyl chloride7071-83-2DTXSID40346171RefChem:313122DTXCID30297244XKCGWCQMEUASJF-UHFFFAOYSA-N9-oxofluorene-4-carbonyl chloride9-Oxo-9H-fluorene-4-carbonyl chlorideMFCD000099319H-FLUORENE-4-CARBONYL CHLORIDE,9-OXOSCHEMBL2076642AKOS015916686

Weitere Namen anzeigen

TIMTEC-BB SBB0008249-OXO-4-FLUORENECARBONYL CHLORIDE

9-Fluorenone-4-carbonyl chloride, 97%BP-13268BS-234619-Oxo-9H-fluorene-4-carbonyl chloride #DB-0554489h-fluoren-9-one-4-carboxylic acid chlorideH60847

Datenbank-Bezeichner

CAS: 7071-83-2
PubChem CID: 610142
DTXSID: DTXSID40346171
EC Number: 687-146-4
Nikkaji: J236.245G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 352

Physikochemische Eigenschaften

Schmelzpunkt: 139 · 139-141 °C (lit.)
Siedepunkt: 420.1 · 420.1±24.0 °C(Predicted)
Dichte: 1.417 · 1.417±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: solid
InChI: 1S/C14H7ClO2/c15-14(17)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)16/h1-7H
InChIKey: XKCGWCQMEUASJF-UHFFFAOYSA-N
SMILES: ClC(=O)c1cccc2C(=O)c3ccccc3-c12

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 1
ridadr: UN 3261 8/PG 2
risk_code: 34-40
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Carc. 2Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden9-Fluorenone-4-carbonyl chloride was used to functionalize amino acids in alkaline medium before their enantioresolution by HPLC. It was also used in the synthesis of N-(2-hydroxyethyl)-9-oxo-9H-fluorene-4 carboxamide.