Basic information
- Standard SMILES
O=C1Cc2ccccc2N1- InChIKey
JYGFTBXVXVMTGB-UHFFFAOYSA-N- Molecular formula
- C8H7NO
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.05276384
Overview
Indolin-2-one is an indolinone carrying an oxo group at position 2. It is an indolinone and a gamma-lactam.
Names & identifiers
- Preferred name
- Oxindole
- IUPAC
- 1,3-dihydroindol-2-one
- English name
- Oxindole
- Molecular formula
- C8H7NO
- Molecular weight
- 133.15
Names & synonyms
Oxindole59-48-32-Oxindole2-Indolinone1,3-Dihydro-2H-indol-2-one1,3-Dihydroindol-2-oneOxindolIndol-2(3H)-one2H-Indol-2-one, 1,3-dihydro-Indoline-2-oneindol-2-olDICLOFENAC IMPURITY E
Show more names
1,3-Dihydro-indol-2-oneNSC 2748632-Indolone
0S9338U62HNSC-274863DTXSID80870389RefChem:477580DTXCID70818114200-429-52-hydroxyindoleIndolin-2-one
Database identifiers
- CAS
59-48-3- PubChem CID
- 321710
- DTXSID
DTXSID80870389- ChEMBL
CHEMBL40823- ChEBI
CHEBI:31697- UNII
- 0S9338U62H
- EC Number
- 200-429-5
- Nikkaji
- J1.393E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Indoles
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Vapor Pressure0.000132 [mmHg]
Physical DescriptionWhite to brown powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 123 · 123-128 °C(lit.)
- Boiling point
- 227 °C73 · 227 °C73 mm Hg(lit.)
- Density
- 1.1475 · 1.1475 (rough estimate)
- refractive index
- 1.5282 · 1.5282 (estimate)
- Flash point
- 194 · 194-196°C/17mm
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 9.1 g/l · 9.1g/l
- pka
- 14.77 · 14.77±0.20(Predicted)
- form
- Solid
- color
- Light Brown
- Water Solubility
- insoluble
- BRN
- 114692 · 114692
- InChI
- 1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
- InChIKey
- JYGFTBXVXVMTGB-UHFFFAOYSA-N
- SMILES
- O=C1Cc2ccccc2N1
- CAS DataBase Reference
- 59 · 59-48-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 S9338U62H · 0S9338U62H
- NIST Chemistry Reference
- 2 H-Indol-2-one, · 2H-Indol-2-one, 1,3-dihydro-(59-48-3)
- EPA Substance Registry System
- Oxindol (59-48-3)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312a-P330-P501a
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 22 · 22-24/25
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- RTECS
- 2080500 · NM2080500
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29337900 · 29337900
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): 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 85 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2H-Indol-2-one, 1,3-dihydro-
2H-Indol-2-one, 1,3-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2H-Indol-2-one, 1,3-dihydro-: Environment tier I assessment
Hazards Summary
Causes flaccid paralysis without anesthesia (usually neuromuscular blockage), changes in motor activity, and ataxia in oral and intraperitoneal lethal-dose studies of mice; [RTECS] May cause irritation; Harmful by ingestion; [Alfa Aesar MSDS] See Indole.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- rtecs
- NM2080500
- ridadr
- 2811
- hs_code
- 29337900
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-24/25
- hazard_class
- 6.1(b)
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312a-P330-P501a
Chemistry & industry
Pharmacology
Metabolism/MetabolitesOxindole is a known human metabolite of indole.
Applications
UsesOxindole is considered as indole analogue, which shows pharmacological activity.
UsesIndole analogue; shows pharmacological activity
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionChEBI: Indolin-2-one is an indolinone carrying an oxo group at position 2. It is an indolinone and a gamma-lactam.
Related reactions
955 records
Linked notes
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