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Dodecyldimethylbenzylammonium chloride

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Name

Dodecyldimethylbenzylammonium chloride

EINECS 205-351-5
CAS No. 139-07-1 Density
Solubility Melting Point ~60 °C
Formula C21H38ClN Boiling Point
Molecular Weight 339.99 . Flash Point
Transport Information UN 3261 8/PG 3 Appearance Pale yellow transparent liquid
Safety 36/37/39-45-61-60-26 Risk Codes 21/22-34-50-50/53
Molecular Structure Molecular Structure of 139-07-1 (Dodecyldimethylbenzylammonium chloride) Hazard Symbols CorrosiveC,DangerousN
Synonyms

Dodecyl dimethyl benzyl ammonium chloride;Benzenemethanaminium,N-dodecyl-N,N-dimethyl-, chloride (9CI);Benzyldodecyldimethylammonium chloride(6CI);Benzododecinium chloride;Benzyldimethyllaurylammonium chloride;Catigene OM;Catinal CB 50;Catiolite BC 50;Cationic1227;Cequartyl A;Croda N-Dodecyl;DYK 1125;Dehyquart LDB;N-Dodecyl-N,N-dimethyl-N-benzylammonium chloride;N-Dodecyl-N,N-dimethylbenzenemethanaminium chloride;

 

Dodecyldimethylbenzylammonium chloride Chemical Properties

Molecular Structure of Dodecyldimethylbenzylammonium chloride (CAS NO.139-07-1):

IUPAC Name: benzyl-dodecyl-dimethylazanium chloride
CAS Number: 139-07-1
Molecular Formula: C21H38ClN
Molecular Weight: 339.99
ACD/LogP: 1.69
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1.69
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 5.5): 11.37
ACD/BCF (pH 7.4): 11.37
ACD/KOC (pH 5.5): 198.29
ACD/KOC (pH 7.4): 198.29
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 13
Polar Surface Area: 0Å2
EINECS: 205-351-5
Melting Point: 60°C
Appearance: White Powder
liansport Information: OTH
Product Categories: Organics; Biocide; Water Ttreatment Chemicals
InChI
InChI=1/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
Smiles
c1(C[N+](CCCCCCCCCCCC)(C)C)ccccc1.[ClH-]

Dodecyldimethylbenzylammonium chloride Toxicity Data With Reference

1.    

skn-rbt 1 mg/24H

    OYYAA2    Oyo Yakuri. Pharmacometrics. 6 (1972),329.
2.    

eye-rbt 1 mg

    OYYAA2    Oyo Yakuri. Pharmacometrics. 6 (1972),329.
3.    

orl-rat LD50:400 mg/kg

    85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,490.
4.    

ipr-rat LD50:100 mg/kg

    85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,490.

Dodecyldimethylbenzylammonium chloride Safety Profile

Poison by ingestion and intraperitoneal routes. A skin and eye irritant. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Cl.
Safety Information of Dodecyldimethylbenzylammonium chloride (CAS NO.139-07-1):
Hazard Codes: CorrosiveC,DangerousN
Risk Statements: 21/22-34-50-50/53
R21/22:Harmful in contact with skin and if swallowed. 
R34:Causes burns. 
R50:Very toxic to aquatic organisms. 
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 36/37/39-45-61-60-26
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
S60:This material and its container must be disposed of as hazardous waste. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 3261 8/PG 3
WGK Germany: 2
RTECS: BO6821500
F: 3-10

Dodecyldimethylbenzylammonium chloride Specification

 Dodecyldimethylbenzylammonium chloride , with CAS number of 139-07-1, can be called N-Benzyl-N-dodecyl-N,N-dimethylammonium chloride ; N-Dodecyl-N,N-dimethylbenzenemethanaminium chloride ; Lauryldimethylbenzylammonium chloride ; Lauryl benzalkonium chloride ; Dodecyldimethylbenzylammonium chloride ; Dodecylbenzyldimethylammonium chloride ; Dehyquart LDB ; Benzenemethanaminium,N-dodecyl-N,N-dimethyl-, chloride (9CI) ; Dodecyl dimethyl benzyl ammonium chloride . Dodecyldimethylbenzylammonium chloride (CAS NO.139-07-1) can be used for acrylic leveling agent, dyeing and printing fabrics slow dye, oil wells fungicides, cooling water system sterilization algicide, disinfectants, medical equipment, etc.

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