9-Methyl-9H-fluorene-9-carboxylic acid

HCID 3587802

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Grundinformationen

CAS: 3300-17-2
Standard-SMILES: CC1(C(=O)O)c2ccccc2-c2ccccc21
InChIKey: PUPWRKQSVGUBQS-UHFFFAOYSA-N
Summenformel: C15H12O2
Durchschnittliche Molmasse: 224,25 g/mol
Monoisotopische Masse: 224,08372962

Namen und Bezeichner

Bevorzugter Name: 9-Methyl-9H-fluorene-9-carboxylic acid
IUPAC: 9-methylfluorene-9-carboxylic acid
Englischer Name: 9-METHYL-9H-FLUORENE-9-CARBOXYLIC ACID
Summenformel: C15H12O2
Molmasse: 224.25

Namen und Synonyme

9-METHYL-9H-FLUORENE-9-CARBOXYLIC ACIDRefChem:5494673300-17-29-methylfluorene-9-carboxylic AcidMFCD00114671[13C]-9-Methylfluorene-9-carboxylic acid9-METHYL-9H-FLUORENE-9-CARBOXYLICACIDSCHEMBL393095SCHEMBL4636505DTXSID50393919PUPWRKQSVGUBQS-UHFFFAOYSA-NDAA30017

Weitere Namen anzeigen

2-methylthiazole-12-carboxylic acidOxirane, 2-[11-(phenylMethoxy)ethyl]-9H-Fluorene-9-carboxylic acid, 9-methyl-9-methyl-9H-fluorene-9-carboxylic acid(SALTDATA: FREE)

STL193399XH0453AKOS015950332BS-37840SY319009DB-086768CS-02793509-Methylfluorene-9-carboxylic acid, AldrichCPR

Datenbank-Bezeichner

CAS: 3300-17-2
PubChem CID: 3587802
DTXSID: DTXSID50393919
EC Number: 803-432-5
Nikkaji: J2.644.084J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 301

Physikochemische Eigenschaften

Schmelzpunkt: 166 °C · 166 °C
Siedepunkt: 315.2 · 315.2±9.0 °C(Predicted)
Dichte: 1.252 · 1.252±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 4.66 · 4.66±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.