1-Phenylisatin

HCID 12884CAS 723-89-7

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Grundinformationen

Standard-SMILES: O=C1C(=O)N(c2ccccc2)c2ccccc21
InChIKey: UWCPWBIMRYXUOU-UHFFFAOYSA-N
Summenformel: C14H9NO2
Durchschnittliche Molmasse: 223,23 g/mol
Monoisotopische Masse: 223,06332853

Namen und Bezeichner

Bevorzugter Name: 1-Phenylisatin
IUPAC: 1-phenylindole-2,3-dione
Englischer Name: 1-Phenylisatin
Summenformel: C14H9NO2
Molmasse: 223.23

Namen und Synonyme

1-Phenylisatin723-89-71-phenylindole-2,3-dione1H-Indole-2,3-dione, 1-phenyl-DTXSID20222626RefChem:435721DTXCID50145117624-596-21-Phenylindoline-2,3-dione1-Phenyl-1H-indole-2,3-dioneN-Phenylisatin1-phenyl-2,3-dihydro-1H-indole-2,3-dione

Weitere Namen anzeigen

1-PHENYLSATIN1-Phenylisatine1-Phenylisatin,98%1-Phenylisatin >1-phenyl-indole-3-dione

1-Phenyl-indole-2,3-dioneMFCD00082681INDOLE-2,3-DIONE, 1-PHENYL-Phenyl IsatinN-phenyl isatinNSC 100013BRN 01645311-Phenyl-2,3-indolinedione

Datenbank-Bezeichner

CAS: 723-89-7
PubChem CID: 12884
DTXSID: DTXSID20222626
ChEMBL: CHEMBL117447
EC Number: 624-596-2
Nikkaji: J64.785C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 37,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 333

Physikochemische Eigenschaften

Schmelzpunkt: 138 · 138-140 °C (lit.)
Siedepunkt: 388.8 · 388.8±25.0 °C(Predicted)
Dichte: 1.338 · 1.338±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: -7.03 · -7.03±0.20(Predicted)
Farbe: Light yellow to Brown
Wasserlöslichkeit: Insoluble in water.
BRN: 164531 · 164531
InChI: InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H
InChIKey: UWCPWBIMRYXUOU-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC=C2)C2=C(C=CC=C2)C(=O)C1=O
CAS Datenbank: 723 · 723-89-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (95%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H331 (95%): Toxic if inhaled [Danger Acute toxicity, inhalation]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (95%)；Acute Tox. 3 (95%)；Acute Tox. 3 (95%)

Sicherheitsdaten

wgk: 3
hs_code: 29337900
RTECS-Nr.: NL7984000
risk_code: 23/24/25
hazard_code: T
safety_code: 27-28-36/37/39-45
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Phenylisatin is a reactant for preparation of indolin-2,3-dione Schiff bases as potential antimycobacterial agents, antipyretic agents, antiproliferative agents, phenylacetamides as anticonvulsant agents and selective Galanin GAL3 receptor antagonists.