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CAS No.: | 7281-04-1 |
---|---|
Name: | Benzyldodecyldimethylammonium bromide |
Article Data: | 4 |
Molecular Structure: | |
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 |
Conditions | Yield |
---|---|
In ethanol for 28h; Heating; | 80% |
Conditions | Yield |
---|---|
In ethanol Heating; |
Conditions | Yield |
---|---|
With sodium carbonate In water at 25℃; for 24h; Inert atmosphere; | 93% |
ajatin
Conditions | Yield |
---|---|
With potassium peroxymonosulfate; sodium bromide In water for 0.55h; | 86% |
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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
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.
First, take the reaction of Dodecanol and HBr to get 12 Hydrogen bromide , and then with the reaction of Benzyl chloride and Dimethylamine .
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. |
Reported in EPA TSCA Inventory.
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NH3, NOx, 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
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 .