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

SKU: 53751-50G Categories: , Tags: ,

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)c1ccc(OCCOCC[N+]
    (C)(C)Cc2ccccc2)cc1
InChI   : 1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5) 
    24-13-15-25(16-14-24)30-20-19-29-18-17
  -28(6,7)21-23-11-9-8-10-12-23;/h8-16H,
  17-22H2,1-7H3;1H/q+1;/p-1
InChI key   : UREZNYTWGJKWBI-UHFFFAOYSA-M

 

 

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