N-(2-Hydroxyethyl)phthalimid

N-(2-Hydroxyethyl)phthalimide

HCID 77499CAS 3891-07-4

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Grundinformationen

Standard-SMILES: O=C1c2ccccc2C(=O)N1CCO
InChIKey: MWFLUYFYHANMCM-UHFFFAOYSA-N
Summenformel: C10H9NO3
Durchschnittliche Molmasse: 191,18 g/mol
Monoisotopische Masse: 191,05824315

Überblick

esters tested as molluscacides; RN given refers to parent cpd

Namen und Bezeichner

Bevorzugter Name: N-(2-Hydroxyethyl)phthalimide
IUPAC: 2-(2-hydroxyethyl)isoindole-1,3-dione
Lokaler Name: N-(2-Hydroxyethyl)phthalimid
Englischer Name: N-(2-Hydroxyethyl)phthalimide
Summenformel: C10H9NO3
Molmasse: 191.18

Namen und Synonyme

N-(2-Hydroxyethyl)phthalimide3891-07-42-Phthalimidoethanol1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)-2-HydroxyethylphthalimideNSC-2773NSC-5062461842K53O1DTXSID1063225N-[2-hydroxyethyl]phthalimide2-hydroxyethylphtalimideRefChem:825494

Weitere Namen anzeigen

N-(2-Hydroxylethyl) PhthalimideAKOS BBS-00004429TIMTEC-BB SBB003638N-HydroxyethylphthalAmlodipine Impurity QAlogliptin impurity Q

DTXCID4039578223-434-42-(2-Hydroxyethyl)isoindoline-1,3-dioneN-Hydroxyethylphthalimide2-(2-hydroxyethyl)isoindole-1,3-dioneMFCD00005903Phthalimide, N-(2-hydroxyethyl)-2-(2-HYDROXYETHYL)-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIONE

Datenbank-Bezeichner

CAS: 3891-07-4
PubChem CID: 77499
DTXSID: DTXSID1063225
UNII: 61842K53O1
EC Number: 223-434-4
Nikkaji: J26.029K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 57,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 240

Physikochemische Eigenschaften

Schmelzpunkt: 126 · 126-128 °C(lit.)
Siedepunkt: 326.92 °C · 326.92°C (rough estimate)
Dichte: 1.2722 · 1.2722 (rough estimate)
Brechungsindex: 1.531 · 1.5310 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Crystalline Powder
pka: 14.4 · 14.40±0.10(Predicted)
Farbe: White
BRN: 147214 · 147214
InChI: InChI=1S/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2
InChIKey: MWFLUYFYHANMCM-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1CCO
CAS Datenbank: 3891 · 3891-07-4(CAS DataBase Reference)
NIST chemische Informationen: -2 · N-2-hydroxyethyl phthalimide(3891-07-4)
EPA chemische Informationen: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)- (3891-07-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (27.7%): 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 148 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21914

Hazard Classes and CategoriesSkin Irrit. 2 (27.7%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29251900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-26-36/37/39-24/25
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenN-(2-Hydroxyethyl)phthalimide is used as a reagent to synthesize (-)-R-rolipram is a phosphodiesterase 4 inhibitor that is used to treat depression. N-(2-Hydroxyethyl)phthalimide is also used as a reagent to synthesize FR252921, a compound that acts as an immunosuppressant. Amlodipine Impurity 6