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1,1'-(Hexan-1,6-diyl)bis-1H-pyrrol-2,5-dion
BMH · Hmdm · N,N'-HEXAMETHYLENEBISMALEIMIDE · GMBMI · NSC 12818 · HEXYLDIMALEIMIDE · BIS-MALEIMIDOHEXANE · 1,6-MaleiMidohexane
Identifikatoren & physikalische Daten
| CAS No. | 4856-87-5 |
|---|---|
| Summenformel | C14H16N2O4 |
| Durchschnittliche Molmasse | 276,29 g/mol |
| Monoisotopische Masse | 276,11100699 g/mol |
| SMILES | O=C1C=CC(=O)N1CCCCCCN1C(=O)C=CC1=O |
| InChIKey | PYVHLZLQVWXBDZ-UHFFFAOYSA-N |
| PubChem CID | 20992 |
| ChEMBL | CHEMBL567422 |
| EC No. | 225-449-1 |
| DTXSID | DTXSID3073343 |
| Lokaler Name | 1,1'-(Hexan-1,6-diyl)bis-1H-pyrrol-2,5-dion |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 425 |
| Schmelzpunkt | 144 °C |
| Siedepunkt | 419.2°C (rough estimate) |
| Dichte | 1.1933 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | 0-6°C |
| Löslichkeit | Soluble in chloroform. |
| pKa (Säurekonstante) | -1.90±0.20(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| InChI | InChI=1S/C14H16N2O4/c17-11-5-6-12(18)15(11)9-3-1-2-4-10-16-13(19)7-8-14(16)20/h5-8H,1-4,9-10H2 |
| InChIKey | PYVHLZLQVWXBDZ-UHFFFAOYSA-N |
| SMILES | C(N1C(=O)C=CC1=O)CCCCCN1C(=O)C=CC1=O |
| CAS Datenbank | 4856-87-5(CAS DataBase Reference) |
| EPA chemische Informationen | 1H-Pyrrole-2,5-dione, 1,1'-(1,6-hexanediyl)bis- (4856-87-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (11.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 17 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (11.8%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 29251900 |
| RTECS-Nr. | ON5520000 |
| Toxizität | mouse,LD50,oral,215mg/kg (215mg/kg),Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(11), Pg. 109, 1975. |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralSkin Sens. 1 |
Anwendungen & Verwendung
Verwenden
A sulfhydryl reactive homobifunctional crosslinking reagent. Under mild conditions, will permit irreversible cross-linking of sulfhydral containing compounds at a pH range of 6.5 to 7.5. Spacer Arm: 16.1 Angstroms