HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Imino-1H-isoindol-3-amin
1,3-Diiminoisoindoline · 1-imino-1H-Isoindol-3-amine · Phthalimide diimide · isoindoline-1,3-diimine · phthalogen · phthalimidimide · fastogenblue5040 · Compound Fr14087
Identifikatoren & physikalische Daten
| CAS No. | 3468-11-9 |
|---|---|
| Summenformel | C8H7N3 |
| Durchschnittliche Molmasse | 145,16 g/mol |
| Monoisotopische Masse | 145,06399722 g/mol |
| SMILES | N=C1N=C(N)c2ccccc21 |
| InChIKey | RZVCEPSDYHAHLX-UHFFFAOYSA-N |
| PubChem CID | 18980 |
| ChEMBL | CHEMBL3185395 |
| EC No. | 222-426-8 |
| DTXSID | DTXSID0044658 |
| Lokaler Name | 1-Imino-1H-isoindol-3-amin |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 62,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 219 |
| Collision Cross Section | 126.4 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID0044658] |
| Schmelzpunkt | ~197 °C (dec.)(lit.) |
| Siedepunkt | 254.27°C (rough estimate) |
| Dichte | 1.2109 (rough estimate) |
| Dampfdruck | 0.003Pa at 20℃ |
| Brechungsindex | 1.5400 (estimate) |
| Lagerbedingungen | -20°C Freezer, Under inert atmosphere |
| Löslichkeit | DMSO (Slightly, Sonicated), Methanol (Slightly)31.6g/L at 20℃ |
| pKa (Säurekonstante) | 8.47±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Pale Yellow |
| BRN | 118477 |
| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
| InChI | 1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11) |
| InChIKey | RZVCEPSDYHAHLX-UHFFFAOYSA-N |
| SMILES | N=C1NC(=N)c2ccccc12 |
| LogP (Verteilungskoeffizient) | 0.62 at 20℃ |
| CAS Datenbank | 3468-11-9(CAS DataBase Reference) |
| EPA chemische Informationen | 1H-Isoindol-3-amine, 1-imino- (3468-11-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (76.3%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 190 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
|---|---|
| Regulatorische Informationen | Chemical: 1H-Isoindol-3-amine, 1-imino-Status: Active Update: 08-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/25833 |
| Hazard Classes and Categories | Acute Tox. 3 (76.3%)Skin Irrit. 2 (100%) |
| F | 3-9-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN3077 |
| Zollcode | 29252900 |
| RTECS-Nr. | NR3500000 |
| R-Sätze (R) | 36/37/38-23/24/25 |
| Gefahrensymbole | Xi,T |
| Sicherheitshinweise (S) | 26-36-45-36/37/39-28 |
| Gefahrenklasse | 9Eye Dam. 1Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,3-Diiminoisoindoline is a useful compound in the production of colouring compositions. Dyes and metabolites.