Didecyl dimethyl ammonium bromide

HCID 16957CAS 2390-68-3

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Grundinformationen

Standard-SMILES: CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Br-]
InChIKey: UMGXUWVIJIQANV-UHFFFAOYSA-M
Summenformel: C22H48N.Br
Durchschnittliche Molmasse: 406,5 g/mol

Namen und Bezeichner

Bevorzugter Name: Didecyl dimethyl ammonium bromide
IUPAC: didecyl(dimethyl)azanium bromide
Englischer Name: Didecyldimethylammonium bromide
Summenformel: C22H48BrN
Molmasse: 406.53

Namen und Synonyme

Didecyldimethylammonium bromide2390-68-3Didecyldimonium bromideDECIQUAMDidecyl Dimethyl Ammonium BromideBROMOSEPTDTXSID904652872L098XL5YDTXCID7026528RefChem:55014219-234-1N-Decyl-N,N-dimethyldecan-1-aminium bromide

Weitere Namen anzeigen

DeciquanDeciquan SolutionDDAB-80DDAB-75Decammonium bromideidecyl(dimethyl)azanium,bromide

Di-n-decyldimethylammonium bromideDDAB1-Decanaminium, N-decyl-N,N-dimethyl-, bromidedidecyl(dimethyl)azanium;bromideMFCD00012194didecyldimethylamine, bromideNCGC00166066-01C22H48BrN

Datenbank-Bezeichner

CAS: 2390-68-3
PubChem CID: 16957
DTXSID: DTXSID9046528
ChEMBL: CHEMBL2358929
UNII: 72L098XL5Y
EC Number: 219-234-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 18
Schwere Atome: 24
Formalladung: 0
Komplexität: 200

Physikochemische Eigenschaften

Schmelzpunkt: 149 · 149-151 °C (lit.)
Brechungsindex: 1.457 · 1.4570
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Soluble in methanol.
Aggregatzustand: powder to crystal
Farbe: White to Almost white
BRN: 6492993 · 6492993
Stabilität: Stable. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKey: UMGXUWVIJIQANV-UHFFFAOYSA-M
SMILES: C(CCCCCCCCC)[N+](C)(C)CCCCCCCCCC.[Br-]
CAS Datenbank: 2390 · 2390-68-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 1-Decanaminium, N-decyl-N,N-dimethyl-, bromide

Didecyldimethylammonium bromide: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Mono- and di-alkyl quaternary ammonium surfactants: Environment tier II assessment

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Sicherheitsdaten

F: 3-10
wgk: 3
hs_code: 29239000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-45-36/37/39-28
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenDidecyldimethylammonium bromide (DDAB) is commonly used as a surfactant and a phase transfer catalyst. It is also used in the preparation of hydrophobic ammonium-based ionic liquid.