2,3-Dibromo-N-methylmaleimide

HCID 18155CAS 3005-27-4

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CN1C(=O)C(Br)=C(Br)C1=O
InChIKey: CKITYUQKOJMMOI-UHFFFAOYSA-N
Summenformel: C5H3Br2NO2
Durchschnittliche Molmasse: 268,89 g/mol
Monoisotopische Masse: 266,85305254

Namen und Bezeichner

Bevorzugter Name: 2,3-Dibromo-N-methylmaleimide
IUPAC: 3,4-dibromo-1-methylpyrrole-2,5-dione
Englischer Name: 2,3-Dibromo-N-methylmaleimide
Summenformel: C5H3Br2NO2
Molmasse: 268.89

Namen und Synonyme

2,3-Dibromo-N-methylmaleimideRefChem:441983625-814-93005-27-4N-Methyl-2,3-dibromomaleimide3,4-dibromo-1-methylpyrrole-2,5-dioneN-Methyl-dibromomaleinimideMALEIMIDE, DIBROMO-N-METHYL-3,4-dibromo-1-methyl-2,5-dihydro-1H-pyrrole-2,5-dione3,4-Dibromo-1-methyl-1H-pyrrole-2,5-dione1H-Pyrrole-2,5-dione, 3,4-dibromo-1-methyl-Maleimide, 2,3-dibromo-N-methyl-

Weitere Namen anzeigen

3,4-dibromo-1-methyl-pyrrole-2,5-dioneSKL607dibromo-n-methyl-maleimidN-METHYLDIBROMOMALEINIMIDE2,3-DibroMo-N-MethylMaleiMide 99%

MFCD00102284NSC 120444BRN 01291493,4-Dibromo-N-methylmaleimideDibromo-N-methylmaleimideV5U5TK6UT53,4-Dibromo-N-methylpyrrole-2,5-dione5-21-10-00050 (Beilstein Handbook Reference)

Datenbank-Bezeichner

CAS: 3005-27-4
PubChem CID: 18155
DTXSID: DTXSID10184108
UNII: V5U5TK6UT5
EC Number: 625-814-9
Nikkaji: J171.280B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 37,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 222

Physikochemische Eigenschaften

Schmelzpunkt: 120 · 120-124 °C (lit.)
Siedepunkt: 105 °C · 105°C (rough estimate)
Dichte: 2.2935 · 2.2935 (rough estimate)
Brechungsindex: 1.64 · 1.6400 (estimate)
storage temp.: Inert atmosphere,Room Temperature
pka: -6.23 · -6.23±0.60(Predicted)
InChI: 1S/C5H3Br2NO2/c1-8-4(9)2(6)3(7)5(8)10/h1H3
InChIKey: CKITYUQKOJMMOI-UHFFFAOYSA-N
SMILES: CN1C(=O)C(Br)=C(Br)C1=O
CAS Datenbank: 3005 · 3005-27-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933998090
RTECS-Nr.: ON5125000
risk_code: 22
hazard_code: Xn
safety_code: 36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,3-Dibromo-N-methylmaleimide can be used to synthesize bis-indolylmaleimides via reaction with indolyl magnesium bromide. It can also undergo mono-cross coupling with triorganoindium derivatives which can be further coupled with naphthodithiophene to form an intermediate for [5]thiahelicene synthesis.