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Cyclohex-1,2-ylendiamin
(1R,2R)-CYCLOHEXANE-1,2-DIAMINE · DACH · Diaminocyclohexane · 1,2-CYCLOHEXANEDIAMINE · (R,R)-1,2-DIAMINOCYCLOHEXANE · DCH-99 · R-DACH · RR-DIAMINOCYCLOHEXANE
Identifikatoren & physikalische Daten
| CAS No. | 694-83-7 |
|---|---|
| Summenformel | C6H14N2 |
| Durchschnittliche Molmasse | 114,19 g/mol |
| Monoisotopische Masse | 114,11569845 g/mol |
| SMILES | NC1CCCCC1N |
| InChIKey | SSJXIUAHEKJCMH-UHFFFAOYSA-N |
| PubChem CID | 4610 |
| ChEMBL | CHEMBL1356279 |
| ChEBI | CHEBI:93778 |
| EC No. | 211-776-7 |
| DTXSID | DTXSID0027301 |
| Lokaler Name | Cyclohex-1,2-ylendiamin |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 52 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 62,9 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| Arzneimittel | Pharmaceuticals |
| Dichte | 0.952 @ 20°C0.931 g/mL at 25 °C(lit.) |
| Flammpunkt | Flash point > 93 °C169 °F |
| Dampfdruck | 0.4 [mmHg]0.4 mm Hg ( 20 °C) |
| Physical Description | 1,2-diaminocyclohexane appears as a clear to light yellow liquid. Corrosive to the eyes, skin, mouth, throat and stomach. Vapors may irritate eyes.CBIDark liquid with an amine odor[CAMEO] |
| Schmelzpunkt | 41-45 °C |
| Siedepunkt | 92-93 °C18 mm Hg(lit.) |
| Brechungsindex | n20/D 1.49(lit.) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 10.76±0.70(Predicted) |
| Farbe | Clear |
| pH | 11.3 (5g/l, H2O, 20℃)neutral |
| Löslichkeit | miscible |
| BRN | 506142 |
| LogP (Verteilungskoeffizient) | 0 at 20℃ |
| CAS Datenbank | 694-83-7(CAS DataBase Reference) |
| NIST chemische Informationen | 1,2-Cyclohexanediamine(694-83-7) |
| EPA chemische Informationen | 1,2-Cyclohexanediamine (694-83-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.2% (6 of 513) of reports.DangerH302+H312+H332 (16.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 513 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,2-Cyclohexanediamine1,2-Cyclohexanediamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Cyclohexanediamine 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: 12-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/149031,2-Cyclohexanediamine: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Corrosive |
| Brandgefahren | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Gesundheitsgefahren | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Gefahrenübersicht | A corrosive substance[CAMEO] Effects during recovery period from a 4-hour, lethal-concentration study of rats include skin lesions, discharge from the nose, and labored breathingLesions of the nasal mucosa observed in 2-week inhalation study with ratsNo other gross or histopathological changes observedConsidered a severe skin and moderate eye irritant based on studies with rabbitsNot sensitizing to skin of guinea pigsDermal LD50 (test substance 69.5% 1,6-Hexanediamine and 30.5% 1,2-Diaminocyclohexane) = 7500 mg/kg in albino rabbits and produced severe irritation with necrosis[EPA HPVIS] Observations in 28-day feeding with rats at highest tested dose (500 mg/kg) include pale discoloration of liver and increased liver enzymesDecrease in litter size and increased postnatal loss at highest doseCaused skin sensitization in guinea pigs (20/20 at 24 hours and 13/20 at 48 hours) [ToxPlanet: TSCATS] Causes burnsPotential skin sensitizerMay cause acute pneumonitis after inhalation[Alfa Aesar MSDS] |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Profile | 1,2-DIAMINOCYCLOHEXANE is an amine. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | Partially soluble in water and less dense than water. |
| Hazard Classes and Categories | Acute Tox. 4 (43.1%) |
| Brandbekämpfung | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Erste Hilfe | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Freisetung ohne Brand | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Protective Action Criteria (PAC) | 2.1 [mg/m3]23 [mg/m3]140 [mg/m3] |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Non-Human Toxicity Excerpts | WITHOUT EXTERNAL ACTIVATION, CIS- AND TRANS-DICHLORODIAMMINEPLATINUM(II) (DDP) AND THE CIS-, TRANS (-)-, AND TRANS (+) FORMS OF DICHLORO-1,2-DIAMINOCYCLOHEXANEPLATINUM(II) (DDCP) AND CIS-, TRANS (-), TRANS (+)-SULFATO-1,2-DIAMINOCYCLOHEXANEPLATINUM(II) (SHP) SHOWED A 400-FOLD RANGE OF MUTAGENICITY FOR SALMONELLA TYPHIMURIUM TA100 AND TA98THEY WERE 2-10 TIMES MORE MUTAGENIC FOR STRAIN TA100 THAN FOR STRAIN TA98. FOR THE DIAMINOCYCLOHEXANE COMPLEXES, MUTAGENIC ACTIVITY WAS STRONGLY DEPENDENT ON STEREOISOMER OF THE DIAMINOCYCLOHEXANE IN THE COMPLEX. WITH STRAIN TA100, THE THE TRANS(+) FORMS OF DDCP & SHP PRODUCED 220 AND 66 REVERTANTS/NMOL, RESPECTIVELY, WHILE THE CIS AND TRANS(-) ISOMERS INDUCED ONLY 10 AND 5% AS MANY REVERTANTS AS THE TRANS(+) FORMS. |
| Toxicity Data | LCLo (rat) = 3,200 mg/m3/4h |
| F | 34 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3259 8/PG 2 |
| Zollcode | 29213099 |
| RTECS-Nr. | GU8749500 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
| Gefahrstoffdaten | 694-83-7(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
1,2-Diaminocyclohexane was used in the synthesis of chiral ruthenium(IV)-oxo complexes & bicyclic pyrazine derivatives.