CAS 574-17-4 1-Acetylisatin (HCID 11321)

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Basic information

CAS: 574-17-4
Standard SMILES: CC(=O)N1C(=O)C(=O)c2ccccc21
InChIKey: LPGDEHBASRKTDG-UHFFFAOYSA-N
Molecular formula: C10H7NO3
Average molar mass: 189.17 g/mol
Monoisotopic mass: 189.04259308

Names & identifiers

Preferred name: 1-Acetylisatin
IUPAC: 1-Acetyl-1H-indole-2,3-dione
English name: 1-Acetyl-1H-indole-2,3-dione
Molecular formula: C10H7NO3
Molecular weight: 189.17

Names & synonyms

1-acetylindoline-2,3-dioneacetylisatinAKOS B0296881-ACETYLISATINN-ACETYLISATINN-Acetylisatin1AKOS BBS-000010211-Acetylisatin,97%TIMTEC-BB SBB0068561-acetyl-indole-3-dione

Database identifiers

CAS: 574-17-4
PubChem CID: 11321
DTXSID: DTXSID50205987
ChEMBL: CHEMBL223001
ChEBI: CHEBI:16050
UNII: V5O1T1H718
EC Number: 209-368-9
Nikkaji: J6.554D

Properties

Physicochemical properties

Melting point: 141 · 141-143°C
Boiling point: 345.4 · 345.4±25.0 °C(Predicted)
Density: 1.413 · 1.413±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: powder to crystal
pka: -3.44 · -3.44±0.20(Predicted)
color: Light yellow to Yellow to Orange
λmax: 272 nm · 272nm(EtOH)(lit.)
BRN: 113959 · 113959
CAS DataBase Reference: 574 · 574-17-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 5 O1T1H718 · V5O1T1H718
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety Statements: 22 · 22-24/25
RTECS: 7873800 · NL7873800
HS Code: 2933.99 · 2933.99.8290
HazardClass: IRRITANT