N-2-Bromethylphthalimid

1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-

HCID 11325CAS 574-98-1

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Grundinformationen

Standard-SMILES: O=C1c2ccccc2C(=O)N1CCBr
InChIKey: CHZXTOCAICMPQR-UHFFFAOYSA-N
Summenformel: C10H8BrNO2
Durchschnittliche Molmasse: 254,08 g/mol
Monoisotopische Masse: 252,9738406

Namen und Bezeichner

Bevorzugter Name: 1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-
IUPAC: 2-(2-bromoethyl)isoindole-1,3-dione
Lokaler Name: N-2-Bromethylphthalimid
Englischer Name: N-(2-Bromoethyl)phthalimide
Summenformel: C10H8BrNO2
Molmasse: 254.08

Namen und Synonyme

N-(2-BROMOETHYL)PHTHALIMIDE574-98-11H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-1-Bromo-2-phthalimidoethane2-(Bromoethyl)phthalimidebeta-Phthalimidoethyl bromidebeta-BromoethylphthalimidePhthalimide, N-(2-bromoethyl)-N-2-BromoethylphthalimideNSC 2688EINECS 209-379-9DTXSID0060357

Weitere Namen anzeigen

2-(2-BROMO-ETHYL)-ISOINDOLE-1,3-DIONEAURORA KA-575N-(2-BromoethyLTIMTEC-BB SBB003129N-(2-Bromoethyl)phthSPECS AE-641/00791032Indobufen Impurity 95-BromoethylphthalimideLABOTEST-BB LT00439821

RefChem:438807DTXCID8042214Phthalimide, N-(2-bromoethyl)-(8CI)209-379-9InChI=1/C10H8BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2-(2-bromoethyl)isoindoline-1,3-dione2-(2-Bromoethyl)-1H-isoindole-1,3(2H)-dione2-(2-bromoethyl)isoindole-1,3-dione

Datenbank-Bezeichner

CAS: 574-98-1
PubChem CID: 11325
DTXSID: DTXSID0060357
ChEMBL: CHEMBL595355
UNII: A85E8KM8J6
EC Number: 209-379-9
Nikkaji: J94.971J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 37,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 243

Physikochemische Eigenschaften

Schmelzpunkt: 80 · 80-83 °C (lit.)
Siedepunkt: 318 °C · 318 °C
Dichte: 1.6254 · 1.6254 (rough estimate)
Brechungsindex: 1.632 · 1.6320 (estimate)
storage temp.: Sealed in dry,Room Temperature
pka: -2.35 · -2.35±0.20(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to slightly pink or beige
Wasserlöslichkeit: insoluble
BRN: 148736 · 148736
InChI: InChI=1S/C10H8BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2
InChIKey: CHZXTOCAICMPQR-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1CCBr
CAS Datenbank: 574 · 574-98-1(CAS DataBase Reference)
NIST chemische Informationen: N-(beta-bromoethyl)phthalimide(574-98-1)
EPA chemische Informationen: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)- (574-98-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-

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

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29251995
risk_code: 36/37/38
safety_code: 24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen

VerwendenN-(2-Bromoethyl)phthalimide is an intermediate used in organic synthesis. It can react with phenyl magnesium bromide to get 2-(2-bromo-ethyl)-3-hydroxy-3-phenyl-isoindolin-1-one.