2-Hydroxy-1H-benz[de]isochinolin-1,3(2H)-dion

N-Hydroxynaphthalimide

HCID 82263CAS 7797-81-1

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Grundinformationen

Standard-SMILES: O=C1c2cccc3cccc(c23)C(=O)N1O
InChIKey: KTWCUGUUDHJVIH-UHFFFAOYSA-N
Summenformel: C12H7NO3
Durchschnittliche Molmasse: 213,19 g/mol
Monoisotopische Masse: 213,04259308

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: N-Hydroxynaphthalimide
IUPAC: 2-hydroxybenzo[de]isoquinoline-1,3-dione
Lokaler Name: 2-Hydroxy-1H-benz[de]isochinolin-1,3(2H)-dion
Englischer Name: N-Hydroxy-1,8-naphthalimide
Summenformel: C12H7NO3
Molmasse: 213.19

Namen und Synonyme

N-Hydroxynaphthalimide7797-81-1N-Hydroxy-1,8-naphthalimideNaphthalhydroxamic acidNaphthalimide, N-hydroxy-DZG9AVW5V21H-Benz[de]isoquinoline-1,3(2H)-dione, 2-hydroxy-NSC-1086911H-Benz(de)isoquinoline-1,3(2H)-dione, 2-hydroxy-DTXSID0064884N-(OH)NaPhIRefChem:831983

Weitere Namen anzeigen

LABOTEST-BB LT00454659N-Hydroxynaphthalimide,97%N-N-HYDROXY-1,8-NAPHTHALIMIDEN-Hydroxy-1,8-naphthalimide>n,n-(1,8-naphthalyl)hydroxylamine

1,8 N-hydroxynaphthalimideDTXCID1048095232-251-9N-Hydroxy-1,8-naphthalenedicarboximide2-hydroxybenzo[de]isoquinoline-1,3-dione2-Hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dioneMFCD000650622-Hydroxy-1H-benz(de)isoquinoline-1,3(2H)-dione

Datenbank-Bezeichner

CAS: 7797-81-1
PubChem CID: 82263
DTXSID: DTXSID0064884
ChEMBL: CHEMBL1207029
UNII: DZG9AVW5V2
EC Number: 232-251-9
Nikkaji: J29.129C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 57,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 16
Formalladung: 0
Komplexität: 311

Physikochemische Eigenschaften

Schmelzpunkt: 245 °C · 245 °C
Siedepunkt: 353.17 °C · 353.17°C (rough estimate)
Dichte: 1.2911 · 1.2911 (rough estimate)
Brechungsindex: 1.45 · 1.4500 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 7.44 · 7.44±0.20(Predicted)
Farbe: Light orange to Yellow to Green
Wasserlöslichkeit: Insoluble in water.
BRN: 178595 · 178595
InChI: InChI=1S/C12H7NO3/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13(11)16/h1-6,16H
InChIKey: KTWCUGUUDHJVIH-UHFFFAOYSA-N
SMILES: C1(=O)C2=C3C(C=CC=C3C(=O)N1O)=CC=C2
CAS Datenbank: 7797 · 7797-81-1(CAS DataBase Reference)
EPA chemische Informationen: 1 H-Benz[de]isoquinoline-1,3 · 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-hydroxy- (7797-81-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

tsca: TSCA listed
hs_code: 29251995
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36-26

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-hydroxy-: ACTIVE

Anwendungen · 2 Einträge

VerwendenIt is used in chemical research & chemical intermediate.

VerwendenN-Hydroxy-1,8-naphthalimide, also known as N-Hydroxynaphthalimide, is an amide compound used as a raw material for organic synthesis or as a solvent for chemical reactions, and also as an organocatalyst in aerobic oxidation. Its derivative N-hydroxynaphthalimide diethyl phosphate is used in the treatment of bobwhite quail Capillaria contorta infection[1-2].