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Iminodiacetonitril
IDAN · 2,2'-Azanediyldiacetonitrile · 2406i.s. · 2406 I.S. · Iminodiacetonirile · IMINODIACETONITRILE · iminodi-acetonitril · TIMTEC-BB SBB006575
Identifikatoren & physikalische Daten
| CAS No. | 628-87-5 |
|---|---|
| Summenformel | C4H5N3 |
| Durchschnittliche Molmasse | 95,1 g/mol |
| Monoisotopische Masse | 95,04834717 g/mol |
| SMILES | N#CCNCC#N |
| InChIKey | BSRDNMMLQYNQQD-UHFFFAOYSA-N |
| PubChem CID | 69413 |
| ChEMBL | CHEMBL3186090 |
| ChEBI | CHEBI:71189 |
| EC No. | 211-058-3 |
| DTXSID | DTXSID3041580 |
| Lokaler Name | Iminodiacetonitril |
Chemische & physikalische Eigenschaften
| XLogP | -0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 59,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 104 |
| Stoffklassen | Nitrogen Compounds -> Nitriles |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Physical Description | Dry PowderTan to light brown odorless crystals[Akzo Nobel MSDS] |
| Schmelzpunkt | 69-71 °C(lit.) |
| Siedepunkt | 167.6°C (rough estimate) |
| Dichte | 1.1031 (rough estimate) |
| Brechungsindex | 1.5200 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -1.25±0.20(Predicted) |
| Farbe | White to Almost white |
| Löslichkeit | Soluble in water, acetone and hot methanol. |
| BRN | 773803 |
| InChI | InChI=1S/C4H5N3/c5-1-3-7-4-2-6/h7H,3-4H2 |
| InChIKey | BSRDNMMLQYNQQD-UHFFFAOYSA-N |
| SMILES | N(CC#N)CC#N |
| CAS Datenbank | 628-87-5(CAS DataBase Reference) |
| NIST chemische Informationen | Acetonitrile, iminodi(628-87-5) |
| EPA chemische Informationen | Acetonitrile, 2,2'-iminobis- (628-87-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 101 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Acetonitrile, 2,2'-iminobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetonitrile, 2,2'-iminobis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Acetonitrile, 2,2'-iminobis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Gefahrenübersicht | Causes somnolence, effects on food intake, and other gastrointestinal changes in dermal lethal-dose studies of rabbitsCauses somnolence, tremor, and other gastrointestinal changes in oral lethal-dose studies of rats[RTECS] May cause respiratory tract irritation (not expected to cause skin or eye irritation)[Akzo Nobel MSDS] See beta,beta'-Iminodipropionitrile. See NITRILES. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Unerwünschte Wirkungen | Other Poison - Chemical Asphyxiant |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2926907090 |
| RTECS-Nr. | AM0650000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
Anwendungen & Verwendung
Verwenden
Iminodiacetonitrile is used as a chemical intermediate. It is also used in the preparation of iminodiacetic acid. Further, it is used to study the interference of nitriles in cyanide determination.