1-Acetyl-5-bromo-7-nitroindoline

HCID 2729243CAS 62368-07-4

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Grundinformationen

Standard-SMILES: CC(=O)N1CCc2cc(Br)cc([N+](=O)[O-])c21
InChIKey: RCELVCGNAKOBPO-UHFFFAOYSA-N
Summenformel: C10H9BrN2O3
Durchschnittliche Molmasse: 285,09 g/mol
Monoisotopische Masse: 283,97965

Namen und Bezeichner

Bevorzugter Name: 1-Acetyl-5-bromo-7-nitroindoline
IUPAC: 1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)ethanone
Englischer Name: 1-Acetyl-5-bromo-7-nitroindoline
Summenformel: C10H9BrN2O3
Molmasse: 285.09

Namen und Synonyme

62368-07-41-Acetyl-5-bromo-7-nitroindolineDTXSID80369581RefChem:227319DTXCID80320617622-148-01-(5-bromo-7-nitroindolin-1-yl)ethanone1-(5-bromo-7-nitro-2,3-dihydroindol-1-yl)ethanoneMFCD000560181-ACETYL-5-BROMO-7-NITRO-2,3-DIHYDRO-1H-INDOLEN-ACETYL-5-BROMO-7-NITRO-INDOLINE1-(5-bromo-7-nitro-2,3-dihydro-1H-indol-1-yl)ethan-1-one

Weitere Namen anzeigen

1-ACETYL-5-BROMO-7-NITR1-ACETYL-5-BROMO-7-NITROINDOLE1-Acetoxy-5-BroMo-7-Nitroindoline1-(5-Bromo-7-nitro-1-indolinyl)ethanone1-Acetyl-5-bromo-7-nitroindoline in stock Factory

Oprea1_712810orb3022917SCHEMBL3071409TPL0077N-acetyl-5-bromo-7-nitroindolineRCELVCGNAKOBPO-UHFFFAOYSA-NCCG-55220SBB066685

Datenbank-Bezeichner

CAS: 62368-07-4
PubChem CID: 2729243
DTXSID: DTXSID80369581
EC Number: 622-148-0
Nikkaji: J1.068.712H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 66,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 16
Formalladung: 0
Komplexität: 318

Physikochemische Eigenschaften

Schmelzpunkt: 196 · 196-198°C
Siedepunkt: 482.8 · 482.8±45.0 °C(Predicted)
Dichte: 1.688 · 1.688±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -2.9 · -2.90±0.20(Predicted)
Aggregatzustand: solid
BRN: 237670 · 237670
InChI: InChI=1S/C10H9BrN2O3/c1-6(14)12-3-2-7-4-8(11)5-9(10(7)12)13(15)16/h4-5H,2-3H2,1H3
InChIKey: RCELVCGNAKOBPO-UHFFFAOYSA-N
SMILES: C(=O)(N1C2=C(C=C(Br)C=C2[N+]([O-])=O)CC1)C
CAS Datenbank: 62368 · 62368-07-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H319 (90.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.