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1,3-Cyclohexandimethanamin
1,3-BAC · CBMA · 1,3-Cyclohexanedimethanamine · 1,3-BIS(AMINOMETHYL)CYCLOHEXANE · Cyclohexane-1,3-diyldiMethanaMine · 1,3-Bis(aminoethyl)cyclohexane · 1,3-CYCLOHEXANEBIS(METHYLAMINE) 99% MIXTURE OF CIS AND TRANS · cyclohexanedimethanamine
Identifikatoren & physikalische Daten
| CAS No. | 2579-20-6 |
|---|---|
| Summenformel | C8H18N2 |
| Durchschnittliche Molmasse | 142,24 g/mol |
| Monoisotopische Masse | 142,14699858 g/mol |
| SMILES | NCC1CCCC(CN)C1 |
| InChIKey | QLBRROYTTDFLDX-UHFFFAOYSA-N |
| PubChem CID | 17406 |
| ChEMBL | CHEMBL3186877 |
| EC No. | 219-941-5 |
| DTXSID | DTXSID4041238 |
| Lokaler Name | 1,3-Cyclohexandimethanamin |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 52 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 83,3 |
| Schmelzpunkt | -70 °C |
| Siedepunkt | 220 °C |
| Dichte | 0.945 g/mL at 25 °C(lit.) |
| Dampfdruck | 34Pa at 25℃ |
| Brechungsindex | n20/D 1.493(lit.) |
| Flammpunkt | 223 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 10.57±0.29(Predicted) |
| Farbe | Clear colorless |
| Löslichkeit | Soluble |
| InChI | InChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2 |
| InChIKey | QLBRROYTTDFLDX-UHFFFAOYSA-N |
| SMILES | C1(CN)CCCC(CN)C1 |
| LogP (Verteilungskoeffizient) | 0.783 at 21.5℃ |
| CAS Datenbank | 2579-20-6(CAS DataBase Reference) |
| EPA chemische Informationen | 1,3-Cyclohexanedimethanamine (2579-20-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.7% (7 of 413) of reports.DangerH302+H312 (12.8%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 413 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,3-bis(aminomethyl)cyclohexane1,3-Cyclohexanedimethanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Cyclohexanedimethanamine 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)Status: Active Update: 25-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/156611,3-Cyclohexanedimethanamine: 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. |
| Hazard Classes and Categories | Acute Tox. 4 (98.3%)Acute toxicity (Oral) - Category 4 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 2 |
| Zollcode | 29213000 |
| RTECS-Nr. | GU7000000 |
| R-Sätze (R) | 20/21/22-34-22-52/53-35-21/22 |
| Toxizität | LD50 orl-rat: 880 mg/kg HURC** -,-,73 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45-25-61 |
| Gefahrenklasse | 8Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1A |
| Verpackungsgruppe | I |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
1,3-cyclohexanebis(methylamine) be used as organic intermediates and epoxy curing agents.