CAS 3335-98-6 1-Phenyloxindole (HCID 314787)

Names & identifiers

Preferred name: 1-Phenyloxindole
IUPAC: 1-phenyl-3H-indol-2-one
English name: 1-Phenyloxindole
Molecular formula: C14H11NO
Molecular weight: 209.24

Names & synonyms

1-Phenyloxindole3335-98-61-phenyl-1,3-dihydro-2H-indol-2-one1-phenyl-3H-indol-2-onen-phenyloxindole1-Phenyl-2-indolinone1,3-DIHYDRO-1-PHENYL-2H-INDOL-2-ONEOxindole, 1-phenyl-n-phenyl-2-indolinoneN-Phenylindolin-2-one2H-Indol-2-one, 1,3-dihydro-1-phenyl-2-Indolinone, 1-phenyl-

Show more names

1-PHENYLINDOLIN-2-ONEPhenyloxindolPHENYLOXINDOLEN-phenylindoleone1-PHENYLLOX INDOLE1-phenoxy-1H-indole1-Phenyloxindole>1-Phenyl-2-indolinone

1-phenyl-1,3-dihydro-indol-2-one2FQG528CES1-Phenyl-1H-indolin-2-oneNSC-234518DTXSID50310944RefChem:435725DTXCID50262070441-020-3

Database identifiers

CAS: 3335-98-6
PubChem CID: 314787
DTXSID: DTXSID50310944
ChEMBL: CHEMBL1305587
UNII: 2FQG528CES
EC Number: 441-020-3、608-864-6
Nikkaji: J620.555K

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 270

Physicochemical properties

Melting point: 123 · 123-125
Boiling point: 443.6 · 443.6±25.0 °C(Predicted)
Density: 1.228 · 1.228±0.06 g/cm3(Predicted)
vapor pressure: 0.002 Pa · 0.002Pa at 20℃
storage temp.: Sealed in dry,Room Temperature
solubility: Practically insoluble in water
form: powder to crystal
pka: -3.41 · -3.41±0.20(Predicted)
color: White to Light yellow
Water Solubility: 74.3 mg/L · 74.3mg/L at 20℃
InChI: InChI=1S/C14H11NO/c16-14-10-11-6-4-5-9-13(11)15(14)12-7-2-1-3-8-12/h1-9H,10H2
InChIKey: OWPNVXATCSXTBK-UHFFFAOYSA-N
SMILES: N1(C2=CC=CC=C2)C2=C(C=CC=C2)CC1=O
LogP: 2.6 at · 2.6 at 26℃
CAS DataBase Reference: 3335 · 3335-98-6(CAS DataBase Reference)
FDA UNII: 2 FQG528CES · 2FQG528CES
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2933790090 · 2933790090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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.

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Hazard information

Regulatory InformationStatus: Active Update: 24-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/13006；Status: Active Update: 10-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19230

Hazard Classes and CategoriesAquatic Chronic 2 (100%)

Regulatory information

Regulatory InformationStatus: Active Update: 24-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/13006；Status: Active Update: 10-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19230