Indolin-2,3-dion

Isatin

HCID 7054CAS 91-56-5

Grundinformationen

Standard-SMILES
O=C1Nc2ccccc2C1=O
InChIKey
JXDYKVIHCLTXOP-UHFFFAOYSA-N
Summenformel
C8H5NO2
Durchschnittliche Molmasse
147,13 g/mol
Monoisotopische Masse
147,0320284

Namen und Bezeichner

Bevorzugter Name
Isatin
IUPAC
1H-indole-2,3-dione
Lokaler Name
Indolin-2,3-dion
Englischer Name
Isatin
Summenformel
C8H5NO2
Molmasse
147.13

Namen und Synonyme

Isatin91-56-51H-Indole-2,3-dioneINDOLE-2,3-DIONE2,3-Diketoindoline2,3-DioxoindolinePseudoisatinIsotinIsatic acid lactamIsatinic acid anhydrideo-Aminobenzoylformic anhydride2,3-Dioxo-2,3-dihydroindole
Weitere Namen anzeigen
IsatinesatinlsatinISATIC ANHYDRIDE2,3-INDOLINEDIONE
2,3-dihydro-1H-indole-2,3-dioneDTXSID3038694CHEBI:27539NSC-926282X95S7M06DTXCID10186942,3 DioxoindolineRefChem:148910

Datenbank-Bezeichner

CAS
91-56-5
PubChem CID
7054
DTXSID
DTXSID3038694
ChEMBL
CHEMBL326294
ChEBI
CHEBI:27539
UNII
82X95S7M06
EC Number
202-077-8
Nikkaji
J4.342G、J608.794I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,8
Polarare Oberfläche (TPSA)
46,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

LogP · 2 Einträge

0.83

0.830

Melting Point · 2 Einträge

203

203.00 °C. @ 760.00 mm Hg

Vapor Pressure0.0000111 [mmHg]
Physical DescriptionOrange solid; [Merck Index] Orange odorless powder; [Alfa Aesar MSDS]
Kovats Retention Index1712;1712

Physikochemische Eigenschaften

Schmelzpunkt
193 · 193-195 °C (dec.) (lit.)
Siedepunkt
267.22 °C · 267.22°C (rough estimate)
Dichte
1.3067 · 1.3067 (rough estimate)
Dampfdruck
0 Pa · 0Pa at 25℃
Brechungsindex
1.47 · 1.4700 (estimate)
Flammpunkt
220 °C · 220 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 25.7% (44 of 171) of reports.

Warning

H317 (62.6%): May cause an allergic skin reaction [Warning Sensitization, Skin];H412 (60.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 171 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 44 of 171 reports by companies.;There are 10 notifications provided by 127 of 171 reports by companies with hazard statement code(s).;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

Regulatory Information · 3 Einträge

Chemical: 1H-Indole-2,3-dione

Status: Active Update: 02-09-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/15909

1H-Indole-2,3-dione: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1H-Indole-2,3-dione: Human health tier II assessment
Hazards Summary · 1 Eintrag

Not a skin or eye irritant in rabbits; A very potent skin sensitizer in guinea pig maximization study; No evidence of contact allergy in Buehler study of guinea pigs (considered inconclusive due to orange/red staining at application sites); Delayed contact hypersensitivity observed in local lymph node assay (LLNA) studies of mice; Teratogenicity observed in the presence of maternal toxicity in rats; [EC: SCCP] Causes flaccid paralysis without anesthesia (usually neuromuscular blockage) and changes in motor activity in oral and intravenous lethal-dose studies of rats; Causes pigmented or nucleated red blood cells and changes in erythrocyte count in 6-week oral studies of rats; [RTECS] May cause eye irritation; Reproductive effects observed in experimental animals; [Alfa Aesar MSDS]

Hazard Classes and Categories · 2 Einträge

Skin Sens. 1B (62.6%);Aquatic Chronic 3 (60.8%)

Skin sensitisation - category 1

Toxikologische Informationen

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity DataLC50 (rat) > 5,200 mg/m3/4hr

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: 1H-Indole-2,3-dione

Status: Active Update: 02-09-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/15909

1H-Indole-2,3-dione: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
2811
hs_code
29337900
RTECS-Nr.
NL7873000
risk_code
36/37/38-20/21/22

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used to make vat dyes and in analytical chemistry as a reagent for cuprous ions, mercaptans, thiophene, and indican; [Merck Index] Used in hair coloring products; [EC: SCCP]

Dressing Hair [Category: Other]

General Manufacturing Information1H-Indole-2,3-dione: ACTIVE
Anwendungen · 1 Eintrag

VerwendenIsatin is an endogenous monoamine oxidize (MAO) inhibitor involved in stress and anxiety. Additionally, isatin inhibits alkaline phosphatase (ALP), nitric oxide (NO)-stimulated soluble guanylate cyclase, and other enzymes. Isatins undergo a one-pot Wolff-Kishner like reduction with hydrazine hydrate, under surprisingly mild conditions, to give the corresponding oxindoles. It is used as chromatographic spray reagent for amino acid detection.

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: An indoledione that is the 2,3-diketo derivative of indole.

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