1-Indanone, 3-phenyl-

HCID 98146CAS 16618-72-7

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Grundinformationen

Standard-SMILES: O=C1CC(c2ccccc2)c2ccccc21
InChIKey: SIUOTMYWHGODQX-UHFFFAOYSA-N
Summenformel: C15H12O
Durchschnittliche Molmasse: 208,25 g/mol
Monoisotopische Masse: 208,088815

Namen und Bezeichner

Bevorzugter Name: 1-Indanone, 3-phenyl-
IUPAC: 3-phenyl-2,3-dihydroinden-1-one
Englischer Name: 3-PHENYL-1-INDANONE
Summenformel: C15H12O
Molmasse: 208.26

Namen und Synonyme

3-Phenyl-1-indanone16618-72-71H-Inden-1-one, 2,3-dihydro-3-phenyl-1-Indanone, 3-phenyl-3-PhenylindanoneNSC 82364BRN 1370263DTXSID7013140274-07-00-01673 (Beilstein Handbook Reference)RefChem:433222(+-)-3-Phenyl-1-indanoneDTXCID20894140

Weitere Namen anzeigen

AKOS BC-09643-phenyl-1-indanonTIMTEC-BB SBB008151

1H-Inden-1-one, 2,3-dihydro-3-phenyl-(9CI)625-438-53-Phenyl-2,3-dihydro-1H-inden-1-one3-Phenylindan-1-one3-phenyl-2,3-dihydroinden-1-oneMFCD00037722NSC82364MLS000691949

Datenbank-Bezeichner

CAS: 16618-72-7
PubChem CID: 98146
DTXSID: DTXSID701314027
ChEMBL: CHEMBL1571712
EC Number: 625-438-5
Nikkaji: J36.988H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 265

Physikochemische Eigenschaften

Schmelzpunkt: 75 · 75-78 °C (lit.)
Siedepunkt: 148 °C/0.7 · 148 °C/0.7 mmHg (lit.)
Dichte: 1.162 · 1.162
Brechungsindex: 1.5361 · 1.5361 (estimate)
storage temp.: Sealed in dry,Room Temperature
InChI: 1S/C15H12O/c16-15-10-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)15/h1-9,14H,10H2
InChIKey: SIUOTMYWHGODQX-UHFFFAOYSA-N
SMILES: O=C1CC(c2ccccc2)c3ccccc13
CAS Datenbank: 16618 · 16618-72-7

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 40 reports by companies.；There is 1 notification provided by 39 of 40 reports by companies with hazard statement code(s).；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 CategoriesAcute Tox. 4 (97.5%)

Sicherheitsdaten

wgk: 3
RTECS-Nr.: NK7538200
risk_code: 22
Toxizität: mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02960,
hazard_code: Xn
safety_code: 36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral