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8.43983

Benzethonium chloride

for synthesis

Synonym(s):

Benzethonium chloride, N-Benzyl-N,N-dimethyl-N-[4-(1.1.3.3-tetramethylbutyl)-phenoxyethoxyethyl]ammonium chloride, Benzethonium chloride

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About This Item

Empirical Formula (Hill Notation):
C27H42ClNO2
CAS Number:
121-54-0
Molecular Weight:
448.08
UNSPSC Code:
12352101
EC Index Number:
204-479-9
NACRES:
NA.22
MDL number:
MFCD00011742
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vapor pressure

<0.001 hPa ( 25 °C)

Quality Segment

200

form

solid

autoignition temp.

380 °C

potency

295 mg/kg LD50, oral (Rat)

pH

5-6.5 (10 g/L in H2O)

mp

160-166 °C

bulk density

440 kg/m3

storage temp.

15-25°C

SMILES string

[Cl-].[N+](CCOCCOc2ccc(cc2)C(CC(C)(C)C)(C)C)(Cc1ccccc1)(C)C

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

Application

  • Development of biologically active ionic liquids: Research highlighted the synthesis of new ionic liquids incorporating the benzethonium cation, which show promising SAR induction and antimicrobial properties, potentially useful in pest management and disease control applications (Czerwoniec et al., 2024).

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Danger

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 2

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