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1,3-Bis(isocyanatomethyl)benzol
XDI · M-XYLYLENE DIISOCYANATE · m-xdi · takenate · takenate500 · m-xylylendiisokyanat · M-XYLENE DIISOCYANATE · m-xylidenediisocyanate
Identifikatoren & physikalische Daten
| CAS No. | 26471-62-5 |
|---|---|
| Summenformel | C10H8N2O2 |
| Durchschnittliche Molmasse | 188,18 g/mol |
| Monoisotopische Masse | 188,0585775 g/mol |
| SMILES | O=C=NCc1cccc(CN=C=O)c1 |
| InChIKey | RTTZISZSHSCFRH-UHFFFAOYSA-N |
| PubChem CID | 19262 |
| EC No. | 222-852-4 |
| DTXSID | DTXSID5038919 |
| Lokaler Name | 1,3-Bis(isocyanatomethyl)benzol |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 239 |
| Physical Description | LiquidOther Solid |
| Schmelzpunkt | -7°C |
| Siedepunkt | 88-90 °C/0.02 mmHg (lit.) |
| Dichte | 1.202 g/mL at 20 °C (lit.) |
| Dampfdruck | 0.021Pa at 20℃ |
| Brechungsindex | n20/D 1.451 |
| Flammpunkt | 42°C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| BRN | 781825 |
| Stabilität | Hygroscopic, Moisture sensitive |
| InChI | 1S/C10H8N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2 |
| InChIKey | RTTZISZSHSCFRH-UHFFFAOYSA-N |
| SMILES | O=C=NCc1cccc(CN=C=O)c1 |
| LogP (Verteilungskoeffizient) | 3.215 (est) |
| CAS Datenbank | 3634-83-1(CAS DataBase Reference) |
| EPA chemische Informationen | 1,3-Bis(isocyanatomethyl)benzene (3634-83-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (35%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P319, P320, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 214 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H315: Causes skin irritation [Warning Skin corrosion/irritation] |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1,3-diisocyanatomethyl-Hazard Traits - Respiratory ToxicityRegulation (EC) No 1935/2004 (amended)Benzene, 1,3-diisocyanatomethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,3-diisocyanatomethyl- 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.SP - indicates a substance that is identified in a proposed Significant New Use Rule. |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzene, 1,3-diisocyanatomethyl-: Environment tier I assessment |
| Hazard Classes and Categories | Flam. Liq. 3 (35%)Acute toxicity (Inhalation: Dusts and mists) - Category 2 |
| F | 8-10-19-21 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2920 8/PG 2 |
| Zollcode | 29291090 |
| RTECS-Nr. | NR0147000 |
| R-Sätze (R) | 10-34-42 |
| Toxizität | mouse,LD50,oral,840mg/kg (840mg/kg),Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 39, Pg. 202, 1980. |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 16-23-26-36/37/39-45 |
| Gefahrenklasse | 6.1Acute Tox. 2 InhalationAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1ASTOT RE 1 InhalationSTOT SE 1 Inhalation |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |