2-Oximino-1-indanone

HCID 6399038CAS 15028-10-1

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Grundinformationen

Standard-SMILES: O=C1C(=NO)Cc2ccccc21
InChIKey: CWEXMSPEUDRDPH-UHFFFAOYSA-N
Summenformel: C9H7NO2
Durchschnittliche Molmasse: 161,16 g/mol
Monoisotopische Masse: 161,04767847

Namen und Bezeichner

Bevorzugter Name: 2-Oximino-1-indanone
IUPAC: 2-hydroxyimino-3H-inden-1-one
Englischer Name: Indan-1,2-dione-2-oxime
Summenformel: C9H7NO2
Molmasse: 161.16

Namen und Synonyme

2-Oximino-1-indanoneRefChem:477579624-504-015028-10-12-(HYDROXYIMINO)-2,3-DIHYDRO-1H-INDEN-1-ONE1H-Indene-1,2(3H)-dione, 2-oxime80070-34-4(Z)-2-(Hydroxyimino)-2,3-dihydro-1H-inden-1-one2-hydroxyimino-3H-inden-1-oneMFCD000829932-hydroxyiminoindan-1-oneSCHEMBL2281246

Weitere Namen anzeigen

1,2-indindane-2-oximeSPECS AE-508/363980541,2-indandione-2-oximeIndan-1,2-dione-2-oxime1,2-Indandione-2-oxime 97%1,2-Indandione-2-oxime

SCHEMBL30042976DTXSID60933901CWEXMSPEUDRDPH-UHFFFAOYSA-NHMS2487F15FDA07034F87138F980088

Datenbank-Bezeichner

CAS: 15028-10-1
PubChem CID: 6399038
DTXSID: DTXSID60933901
EC Number: 624-504-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 49,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 235

Physikochemische Eigenschaften

Schmelzpunkt: 209 °C · 209 °C (dec.)(lit.)
Siedepunkt: 345.9 · 345.9±35.0 °C(Predicted)
Dichte: 1.34 · 1.34±0.1 g/cm3(Predicted)
pka: 8.96 · 8.96±0.20(Predicted)
Aggregatzustand: solid
InChI: 1S/C9H7NO2/c11-9-7-4-2-1-3-6(7)5-8(9)10-12/h1-4,12H,5H2/b10-8+
InChIKey: CWEXMSPEUDRDPH-CSKARUKUSA-N
SMILES: O\N=C1/Cc2ccccc2C1=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 39 reports by companies from 2 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.