CAS No.139-07-1,Dodecyldimethylbenzylammonium chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	139-07-1
Name:	Dodecyldimethylbenzylammonium chloride
Article Data:	32
Cas Database

Formula:	C₂₁H₃₈ClN
Molecular Weight:	339.992
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;
EINECS:	205-351-5
Density:	N/A
Melting Point:	~60 °C
Boiling Point:	N/A
Flash Point:	N/A
Solubility:	N/A
Appearance:	Pale yellow transparent liquid
Hazard Symbols:	C,N
Risk Codes:	21/22-34-50-50/53
Safety:	36/37/39-45-61-60-26
Transport Information:	UN 3261 8/PG 3
PSA:	0.00000
LogP:	3.18790

Synthetic route

: 112-18-5
N,N-dimethylaminododecane

: 100-44-7
benzyl chloride

: 139-07-1
zephirol

Conditions

Conditions	Yield
In acetone at 40℃; for 3h; Temperature; Solvent; Large scale;	92.5%
In acetone at 50℃; for 5h; Temperature; Autoclave; Large scale;	91.5%
In water at 60 - 65℃; for 0.3h;	80%

: 103-83-3
N,N'-dimethylbenzylamine

: 112-52-7
1-chlorododecane

: 139-07-1
zephirol

Conditions

Conditions	Yield
In ethanol at 80℃; for 28h;	35.3%
In ethanol at 80℃; for 28h;	35.3%
With ethanol

: 112-53-8
1-dodecyl alcohol

P2O5: P2O5

: 139-07-1
zephirol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: zinc chloride, hydrogen chloride / 13 h / 140 °C 2: H2O / 16 h / 140 - 150 °C 3: H2O / 4 h / 60 - 65 °C View Scheme

: 112-52-7
1-chlorododecane

: 139-07-1
zephirol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2O / 16 h / 140 - 150 °C 2: H2O / 4 h / 60 - 65 °C View Scheme

: 143-15-7
1-dodecylbromide

copper (I)-benzenethiolate: copper (I)-benzenethiolate

: 139-07-1
zephirol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ethanol 2: H2O View Scheme

: 112-18-5
N,N-dimethylaminododecane

: 112-75-4
N,N-dimethyl-n-tetradecylamine

: 100-44-7
benzyl chloride

A: 139-07-1
zephirol

B: 139-08-2
benzyldimethyltetradecylammonium chloride

Conditions

Conditions	Yield
at 40 - 90℃; for 25h;
Stage #1: N,N-dimethylaminododecane; N,N-dimethyl-n-tetradecylamine; benzyl chloride In water at 40 - 80℃; Stage #2: at 80 - 90℃; for 2.5h;

...Expand

: 143-15-7
1-dodecylbromide

: 139-07-1
zephirol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium hydroxide / water; benzene / 20 h / 20 - 25 °C / 760.05 Torr 2: water / 0.3 h / 60 - 65 °C View Scheme
Multi-step reaction with 2 steps 1: water; benzene / 20 h / 20 - 25 °C 2: water / 0.3 h / 60 - 65 °C View Scheme

: 4536-30-5
ethylene glycol mono-n-dodecyl ether

: 139-07-1
zephirol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: pyridine; phosphorus tribromide / 2 h / -10 - 25 °C 2: water; benzene / 20 h / 20 - 25 °C 3: water / 0.3 h / 60 - 65 °C View Scheme
Multi-step reaction with 3 steps 1: pyridine; phosphorus tribromide / 2 h / -10 - 25 °C 2: sodium hydroxide / water; benzene / 20 h / 20 - 25 °C / 760.05 Torr 3: water / 0.3 h / 60 - 65 °C View Scheme

: 139-07-1
zephirol

: 84864-61-9
rac-Potassium mandelate

: 1287759-37-8
benzyldimethyldodecylammonium mandelate

Conditions

Conditions	Yield
In water at 60℃; for 6h;	99%

: 139-07-1
zephirol

: 65180-40-7
N,N-Dimethyl-N-sulfobenzyl-N-dodecylammonium

Conditions

Conditions	Yield
With chlorosulfonic acid at 50℃; under 1500.15 Torr; for 14h; Temperature; Large scale;	98.74%
With sulfur trioxide In 1,2-dichloro-ethane at 40 - 55℃; for 3h; Temperature; Large scale;	98.22%

Raw Materials

112-18-5

103-83-3

100-44-7

112-52-7

143-15-7

112-53-8

112-75-4

Downstream Products

400-99-7

99-61-6

Total:181 Page 1 of 5 1 2 3 4 5 Next>>

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Chemistry

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-]

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.

Safety Profile

Poison by ingestion and intraperitoneal routes. A skin and eye irritant. When heated to decomposition it emits very toxic fumes of NO_x, NH₃, and Cl⁻.
Safety Information of Dodecyldimethylbenzylammonium chloride (CAS NO.139-07-1):
Hazard Codes: Corrosive C, Dangerous N
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

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.