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Cas Database |
| Name |
Cetyltriethylammonium bromide |
EINECS | N/A |
| CAS No. | 13316-70-6 | Density | g/cm3 |
| PSA | 0.00000 | LogP | 4.34820 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C22H48 N . Br | Boiling Point | °Cat760mmHg |
| Molecular Weight | 406.534 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous route. Moderately toxic by ingestion. Experimental reproductive effects. A severe eye irritant. When heated to decomposition it emits very toxic fumes of Br−, NH3 and NOx. See also BROMIDES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Hexadecanaminium,N,N,N-triethyl-, bromide (9CI); Ammonium, triethylhexadecyl-, bromide (8CI);Triethylhexadecylammonium bromide (6CI,7CI); CTEABr; Cetyltriethylammoniumbromide; Hexadecyltriethylammonium bromide; N,N,N-Triethylhexadecan-1-ammoniumbromide; Triethylcetylammonium bromide; n-Hexadecyltriethylammonium bromide |
Article Data | 17 |
Cetyltriethylammonium bromide Chemical Properties
Molecular Structure of Cetyltriethylammonium bromide (CAS NO. 13316-70-6):
EINECS: 236-347-1
IUPAC Name: Triethyl(hexadecyl)azanium bromide
Molecular Formula: C22H48BrN
Molecular Weight: 406.527220 g/mol
H-Bond Donor: 0
H-Bond Acceptor: 1
Freely Rotating Bonds: 18
Canonical SMILES: CCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Br-]
InChI: InChI=1S/C22H48N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2,7-3)8-4;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKey: HNJXPTMEWIVQQM-UHFFFAOYSA-M
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.19
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 5.5): 27.33
ACD/BCF (pH 7.4): 27.33
ACD/KOC (pH 5.5): 371.52
ACD/KOC (pH 7.4) of Cetyltriethylammonium bromide (CAS NO. 13316-70-6): 371.52
Cetyltriethylammonium bromide Toxicity Data With Reference
| 1. | eye-rbt 1% SEV | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 38 (1949),428. | ||
| 2. | orl-mus LD50:600 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 38 (1949),428. | ||
| 3. | ivn-mus LD50:50 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 38 (1949),428. |
Cetyltriethylammonium bromide Safety Profile
Poison by intravenous route. Moderately toxic by ingestion. Experimental reproductive effects. A severe eye irritant. When heated to decomposition it emits very toxic fumes of Br−, NH3 and NOx. See also BROMIDES.
Cetyltriethylammonium bromide Specification
Cetyltriethylammonium bromide with cas registry number of 13316-70-6 is also known as Ammonium, cetyldiethylethyl-, bromide ; Ammonium, triethylhexadecyl-, bromide (8CI) ; CDEA Br ; Hexadecyltriethylammonium bromide ; N,N,N-Triethyl-1-hexadecanaminium bromide ; Triethylhexadecylammonium bromide ; Triethylpalmitylammonium bromide ; 1-Hexadecanaminium, N,N,N-triethyl-, bromide ; 1-Hexadecanaminium, N,N,N-triethyl-, bromide (9CI) .
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