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Grundinformationen
- CAS
1571-13-7- Standard-SMILES
O=C1NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21- InChIKey
LPUUYZVKCMCHLO-UHFFFAOYSA-N- Summenformel
- C8HCl4NO2
- Durchschnittliche Molmasse
- 284,9 g/mol
- Monoisotopische Masse
- 282,876139
Namen und Bezeichner
- Bevorzugter Name
- 3,4,5,6-Tetrachlorophthalimide
- IUPAC
- 4,5,6,7-tetrachloroisoindole-1,3-dione
- Lokaler Name
- 3,4,5,6-Tetrachlorphthalimid
- Englischer Name
- Tetrachlorophthalimide
- Summenformel
- C8HCl4NO2
- Molmasse
- 284.91
Namen und Synonyme
3,4,5,6-TetrachlorophthalimideTetrachlorophthalimide1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-4,5,6,7-Tetrachloroisoindole-1,3-dioneUNII-Q8JA407327EINECS 216-386-0NSC 72066NSC-72066Q8JA407327DTXSID0061791RefChem:90887DTXCID4035049
Weitere Namen anzeigen
TETRACHLOROPHALIMINETetrachlorophthlimideMoxifloxacin Impurity 784,5,6,7-tetrachlorophthalimide3,4,5,6-Tetrachlorophthalimide 98%3,4,5,6-TETRACHLOROPHTHALIMIDE 98+%3 4 5 6 TETRACHLORO PHTHALIMIDE (TCPI)
216-386-0LPUUYZVKCMCHLO-UHFFFAOYSA-N1571-13-74,5,6,7-Tetrachloroisoindoline-1,3-dioneMFCD000058834,5,6,7-Tetrachloro-1H-isoindole-1,3(2H)-dionePhthalimide, 3,4,5,6-tetrachloro-C8HCl4NO2
Datenbank-Bezeichner
- CAS
1571-13-7- PubChem CID
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 46,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 294
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C(lit.)
- Dichte
- 1.9286 · 1.9286 (rough estimate)
- Brechungsindex
- 1.62 · 1.6200 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 25 mg/mL, · DMF: soluble25mg/mL, clear, light yellow
- Aggregatzustand
- powder to crystal
- pka
- 5.78 · 5.78±0.20(Predicted)
- Farbe
- White to Light yellow
- InChI
- 1S/C8HCl4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)
- InChIKey
- LPUUYZVKCMCHLO-UHFFFAOYSA-N
- SMILES
- Clc1c(Cl)c(Cl)c2C(=O)NC(=O)c2c1Cl
- CAS Datenbank
- 1571 · 1571-13-7(CAS DataBase Reference)
- EPA chemische Informationen
- 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro- (1571-13-7)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 4.3% (2 of 46) of reports.
Warning
H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 46 reports by companies.；There are 6 notifications provided by 44 of 46 reports by companies with hazard statement code(s).；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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (95.7%)；Eye Irrit. 2 (95.7%)；STOT SE 3 (93.5%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29251900
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-: INACTIVE
Anwendungen
Verwenden3,4,5,6-Tetrachlorophthalimide was used to study the influence of metal binding and posttranslational modification of the carboxylated lysine on the activity of recombinant hydantoinase from Agrobacterium radiobacter.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
7
Notizen zur Verbindung
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