Grundinformationen
- Standard-SMILES
NCCCCCCCCCCCCN- InChIKey
QFTYSVGGYOXFRQ-UHFFFAOYSA-N- Summenformel
- C12H28N2
- Durchschnittliche Molmasse
- 200,36 g/mol
- Monoisotopische Masse
- 200,2252489
Namen und Bezeichner
- Bevorzugter Name
- 1,12-Dodecanediamine
- IUPAC
- dodecane-1,12-diamine
- Lokaler Name
- Dodecamethylendiamin
- Englischer Name
- 1,12-Dodecanediamine
- Summenformel
- C12H28N2
- Molmasse
- 200.36
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2783-17-7- PubChem CID
- 17727
- DTXSID
DTXSID2044636- ChEMBL
CHEMBL69590- ChEBI
CHEBI:49385- UNII
- J3LM80W9NT
- EC Number
- 220-489-6
- Nikkaji
- J42.964C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 52 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 82
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 67 · 67-69 °C(lit.)
- Siedepunkt
- 304 °C · 304°C
- Dichte
- 0.8417 · 0.8417 (rough estimate)
- Dampfdruck
- 0.04 Pa · 0.04Pa at 25℃
- Brechungsindex
- 1.4383 · 1.4383 (estimate)
- Flammpunkt
- 311 °F · 311 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Soluble in ethanol.
- Aggregatzustand
- powder to lump
- pka
- 10.97 · 10.97±0.10(Predicted)
- Farbe
- White to Almost white
- Wasserlöslichkeit
- 520 mg/L · 520mg/L at 19.5℃
- BRN
- 1742765 · 1742765
- InChI
- 1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2
- InChIKey
- QFTYSVGGYOXFRQ-UHFFFAOYSA-N
- SMILES
- NCCCCCCCCCCCCN
- LogP
- 2.2 at · 2.2 at 21℃
- CAS Datenbank
- 2783 · 2783-17-7(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1,12-Dodecanediamine (2783-17-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (4 of 56) of reports.
Danger
H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (82.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (10.7%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (73.2%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H331 (12.5%): Toxic if inhaled [Danger Acute toxicity, inhalation];H400 (10.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
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, P332+P317, P333+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 4 of 56 reports by companies.;There are 6 notifications provided by 52 of 56 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 28-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/29535;Status: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25721
1,12-Dodecanediamine: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild eye irritant; Causes hypermotility, weight loss, and respiratory depression in inhalation studies of rats; Causes inflammation of trachea and bronchi in 2-week intermittent inhalation studies of rats; [RTECS] Causes burns; May cause skin sensitization; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Aldrich MSDS] See 1,8-Octamethylenediamine and 1,6-Diaminohexane.
Toxikologische Informationen
Regulatorische Informationen
Regulatory Information
Status: Active Update: 28-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/29535;Status: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25721
1,12-Dodecanediamine: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3259 8/PG 3
- hs_code
- 29212900
- RTECS-Nr.
- JR2200000
- risk_code
- 22-34-43
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Acute Tox. 4 OralSkin Corr. 1BSkin Sens. 1
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenFeedstock for polymer synthesis. Source of twelve carbon chain for medicinal drugs.1
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: An alkane-alpha,omega-diamine that is dodecane substituted by amino groups at positions 1 and 12.
DefinitionDiamines containing more than six carbon atoms can be obtained readily by hydrogenating the corresponding dinitriles over a Raney nickel catalyst in a batch procedure under pressure at up to 125 ℃. A five- to tenfold excess of liquid ammonia is used, with or without methanol solvent. Higher diamines can be prepared continuously, as described for the production of hexamethylenediamine.
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