N-(Brommethyl)phthalimid

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

HCID 79244CAS 5332-26-3

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Grundinformationen

Standard-SMILES: O=C1c2ccccc2C(=O)N1CBr
InChIKey: UUSLLECLCKTJQF-UHFFFAOYSA-N
Summenformel: C9H6BrNO2
Durchschnittliche Molmasse: 240,05 g/mol
Monoisotopische Masse: 238,95819053

Namen und Bezeichner

Bevorzugter Name: 1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-
IUPAC: 2-(bromomethyl)isoindole-1,3-dione
Lokaler Name: N-(Brommethyl)phthalimid
Englischer Name: N-(Bromomethyl)phthalimide
Summenformel: C9H6BrNO2
Molmasse: 240.05

Namen und Synonyme

N-(Bromomethyl)phthalimide5332-26-32-(Bromomethyl)isoindoline-1,3-dionePhthalimidomethyl bromidePhthalimide, N-(bromomethyl)-1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-WDG35UDX67NSC 3997NSC-3997EINECS 226-239-2AI3-28934DTXSID0063789

Weitere Namen anzeigen

2-HydroxypiperazineN-(BROMOMETHYL)PHTALIMIDEN-PHTHALIMIDOMETHYL BROMIDEN-(Bromomethyl)phthalimide>N-(Bromomethyl)phthalimide,97%

2-(BROMOMETHYL)PHTHALIMIDE2-BROMOMETHYLISOINDOLE-1,3-DIONERefChem:438814DTXCID3041401226-239-22-(bromomethyl)isoindole-1,3-dioneN-BROMOMETHYLPHTHALIMIDEMFCD00005897

Datenbank-Bezeichner

CAS: 5332-26-3
PubChem CID: 79244
DTXSID: DTXSID0063789
UNII: WDG35UDX67
EC Number: 226-239-2
Nikkaji: J265.544F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 37,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 230

Physikochemische Eigenschaften

Schmelzpunkt: 152 · 152-155 °C(lit.)
Siedepunkt: 318.9 · 318.9±25.0 °C(Predicted)
Dichte: 1.6838 · 1.6838 (rough estimate)
Brechungsindex: 1.612 · 1.6120 (estimate)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: -2.72 · -2.72±0.20(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to off-white
Wasserlöslichkeit: decomposes
BRN: 140943 · 140943
InChI: 1S/C9H6BrNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2
InChIKey: UUSLLECLCKTJQF-UHFFFAOYSA-N
SMILES: BrCN1C(=O)c2ccccc2C1=O
CAS Datenbank: 5332 · 5332-26-3(CAS DataBase Reference)
NIST chemische Informationen: N-bromomethylphthalimide(5332-26-3)
EPA chemische Informationen: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)- (5332-26-3)

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

Regulatory Information1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 8-10-21
wgk: 3
tsca: TSCA listed
hs_code: 29251995
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 2-(bromomethyl)-: INACTIVE

Anwendungen · 1 Eintrag

VerwendenN-(Bromomethyl)phthalimide was used as initiator in synthesis of α-phthalimidopoly(styrene) by atom transfer radical polymerisation. It was also used in synthesis of functionalized 5-(aminomethyl)pyrimidine-2,4,6-trione analog and new bis-C(cage)-substituted o-carborane.