Benzethonium chloride
Benzethonium chloride
Brand : SIGMA
Packaging : 50gm
CAS Number : 121-54-0
Empirical Formula (Hill Notation) : C27H42ClNO2
Molecular Weight : 448.08
Beilstein/REAXYS Number : 3898548
EC Number : 204-479-9
MDL number : MFCD00011742
PubChem Substance ID : 57651440
NACRES : NA.25
Properties
| Description | : cationic |
| Product line | : BioUltra |
| Assay | : ≥99.0% (AT) |
| Mol wt | : 448.08 g/mol |
| Impurities | : insoluble matter, passes filter test |
| : ≤5% water | |
| pH | : 5.5-7.5 (25 °C, 0.1 M in H2O) |
| Mp | : 162-164 °C (lit.) |
| Solubility | : H2O: 0.1 M at 20 °C, clear, colorless |
| Anion traces | : sulfate (SO42-): ≤50 mg/kg |
| Cation traces | : Al: ≤5 mg/kg |
| : Ba: ≤5 mg/kg | |
| : Bi: ≤5 mg/kg | |
| : Ca: ≤10 mg/kg | |
| : Cd: ≤5 mg/kg | |
| : Co: ≤5 mg/kg | |
| : Cr: ≤5 mg/kg | |
| : Cu: ≤5 mg/kg | |
| : Fe: ≤5 mg/kg | |
| : K: ≤50 mg/kg | |
| : Li: ≤5 mg/kg | |
| : Mg: ≤5 mg/kg | |
| : Mn: ≤5 mg/kg | |
| : Mo: ≤5 mg/kg | |
| : Na: ≤50 mg/kg | |
| : Ni: ≤5 mg/kg | |
| : Pb: ≤5 mg/kg | |
| : Sr: ≤5 mg/kg | |
| : Zn: ≤5 mg/kg | |
| Absorption | : cut-off at 300 nm in H2O at 0.1 M |
| SMILES string | : [Cl-].CC(C)(C)CC(C)(C)c1c |
| (C)(C)Cc2ccc |
|
| InChI | : 1S/C27H42NO2.ClH/c1-26(2, |
| 24-13-15-25(1 |
|
| -28(6,7)21-23-11-9-8-10-1 |
|
| 17-22H2,1-7H |
|
| InChI key | : UREZNYTWGJKWBI-UHFFFAOYSA |
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