CAS No.7281-04-1,Benzyldodecyldimethylammonium bromide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	7281-04-1
Name:	Benzyldodecyldimethylammonium bromide
Article Data:	4

Formula:	C₂₁H₃₈BrN
Molecular Weight:	384.443
Synonyms:	Ammonium,benzyldodecyldimethyl-, bromide (8CI);Benzenemethanaminium,N-dodecyl-N,N-dimethyl-, bromide (9CI);Benzyldodecyldimethylammonium bromide(6CI,7CI);AACL 6;Amonyl BR 1244;Bacfor BL;Benzododecinium bromide;Cequartyl 50;Dimethylbenzyldodecylammoniumbromide;Dimethyldodecylbenzylammoniumbromide;Lauralkonium bromide;Lauryldimethylbenzylammoniumbromide;N,N-Dimethyl-N-benzyldodecylammonium bromide;Sinnoquat BL 80;Sinnoquat BL95;Sterinol;Xinjieermie;
EINECS:	230-698-4
Melting Point:	50-55 °C
Flash Point:	110°C
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-36
Transport Information:	UN 2811 6.1/PG 3
PSA:	0.00000
LogP:	3.18790

Synthetic route

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

: 143-15-7
1-dodecylbromide

: 7281-04-1
ajatin

Conditions

Conditions	Yield
In ethanol for 28h; Heating;	80%

: 112-18-5
N,N-dimethylaminododecane

: 100-39-0
benzyl bromide

: 7281-04-1
ajatin

Conditions

Conditions	Yield
In ethanol Heating;

: 298-07-7
Bis(2-ethylhexyl)phosphoric acid

: 7281-04-1
ajatin

: benzyldimethyldodecylammonium di (2-ethylhexyl)phosphate

Conditions

Conditions	Yield
With sodium carbonate In water at 25℃; for 24h; Inert atmosphere;	93%

: 7281-04-1
ajatin

: dodecyl dimethyl benzylammonium tribromide

Conditions

Conditions	Yield
With potassium peroxymonosulfate; sodium bromide In water for 0.55h;	86%

Raw Materials

100-39-0

103-83-3

112-18-5

143-15-7

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Chemistry

IUPAC Name: Benzyl-dodecyl-dimethylazanium bromide
Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]
InChI: InChI=1S/C21H38N.BrH/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
InChIKey: KHSLHYAUZSPBIU-UHFFFAOYSA-M
Molecular Formula: C₂₁H₃₈BrN
Molar mass: 384.44 g/mol
EINECS: 230-698-4
Melting point: 50-55 °C
Storage temp: 2-8 °C
Flash Point: 110 °C
Appearance: Colorless or light yellow solid or gel
Solubility: Soluble in water or ethanol, aromatic smell, taste very bitter
Product categories: Water Ttreatment Chemicals
Structure of Benzyldodecyldimethylammonium bromide (CAS NO.7281-04-1):

H-Bond Donor: 0
H-Bond Acceptor: 1

Uses

Benzyldodecyldimethylammonium bromide (CAS NO.7281-04-1) has excellent sterilizing power and detergency, no corrosion for metals and non-contaminated clothes. It is used as disinfectant in medicine and as a fungicide in the oil field water.

Production

First, take the reaction of Dodecanol and HBr to get 12 Hydrogen bromide , and then with the reaction of Benzyl chloride and Dimethylamine .

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	unreported	277mg/kg (277mg/kg)		Pharmazie. Vol. 40, Pg. 273, 1985.
rat	LD50	intraperitoneal	90mg/kg (90mg/kg)	VASCULAR: STRICTIRA; CJAMGES OM VESSE;S	Bromatologia i Chemia Toksykologiczna. Vol. 7, Pg. 161, 1974.
rat	LD50	oral	230mg/kg (230mg/kg)		Roczniki Panstwowego Zakladu Higieny. Vol. 17, Pg. 543, 1966.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NH₃, NO_x, and Br⁻.
Hazard Codes: Xn
Risk Statements:
22: Harmful if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: BO7875000
HazardClass: 6.1(b)
PackingGroup: III

Specification

Benzyldodecyldimethylammonium bromide (CAS NO.7281-04-1), its Synonyms are Lauralkonium bromide ; N-Dodecyl-N,N-dimethylbenzenemethanaminium bromide ; Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide ; Dimethyl laurylbenzene ammonium bromide ; Dodecyl dimethyl benzyl ammonium bromide ; Ammonium, benzyldodecyldimethyl-, bromide .