Basic information
- CAS
7281-04-1- Standard SMILES
CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Br-]- InChIKey
KHSLHYAUZSPBIU-UHFFFAOYSA-M- Molecular formula
- C21H38N.Br
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 383.21876
Overview
Benzododecinium bromide is the organic bromide salt of benzododecinium. It is a cationic surfactant that has antispetic and disinfectant properties. It has a role as a surfactant, an antiseptic drug and a disinfectant. It is a quaternary ammonium salt and an organic bromide salt. It contains a benzododecinium.
Names & identifiers
- Preferred name
- Benzododecinium Bromide
- IUPAC
- benzyl-dodecyl-dimethylazanium bromide
- English name
- Benzyldodecyldimethylammonium bromide
- Molecular formula
- C21H38BrN
- Molecular weight
- 384.44
Names & synonyms
Benzododecinium bromideSterinolN-Benzyl-N,N-dimethyldodecan-1-aminium bromideBacfor BLLauralkonium bromideSinnoquat BL 80Sinnoquat BL 95Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromideAmmonyl BR 1244Caswell No. 416BDodecyl dimethyl benzyl ammonium bromideN-Dodecyl-N,N-dimethylbenzenemethanaminium bromide
Show more names
BENZALKONIUM BROMIDEBenzyldodecyldiMethyDiMethylbenzyldodecylaMMoniuM BroMideBKBbacforblXinjieerMie
IRY12B2TQ6Dimethyl laurylbenzene ammonium bromideAmmonium, benzyldodecyldimethyl-, bromideEINECS 230-698-4UNII-IRY12B2TQ6EPA Pesticide Chemical Code 069123CHEBI:167207Bromek dwumetylolaurylobenzyloamoniowy
Database identifiers
- CAS
7281-04-1、91080-29-4- PubChem CID
- 23705
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 240
Experimental & physicochemical properties
CosmeticsAntistatic; Preservative
PesticidesBiocide
Physicochemical properties
- Melting point
- 50 · 50-55 °C
- Flash point
- 110 °C · 110 °C
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: soluble0.1g/10 mL, clear, colorless to very faintly yellow
- form
- powder to crystal
- color
- Crystals
- BRN
- 3579193 · 3579193
- Cosmetics Ingredients Functions
- PRESERVATIVEANTISTATIC
- 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
- SMILES
- C1(=CC=CC=C1)C[N+](C)(C)CCCCCCCCCCCC.[Br-]
- CAS DataBase Reference
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (59.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 71 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 50% (3 of 6) of reports.
Danger
Hazard information
Regulatory InformationChemical: Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide
Other Safety InformationEvaluation - Benzalkonium halides
Hazard Classes and Categories
Acute Tox. 3 (59.2%)
Acute Tox. 3 (50%)
Acute toxicity (ingestion) - category 4
Skin corrosion/irritation - Category 1
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BO7875000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29239000
- Toxicity
- LD50 orl-rat: 250 mg/kg RPZHAW 17,543,66
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Antistatic; Preservative
General Manufacturing InformationBenzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide (1:1): ACTIVE
Applications
UsesBenzalkonium bromides are an important class of cationic surfactants. They are used as preservatives for ophthalmic, nasal and parenteral products and they are also used as a topical antiseptic and medical equipment disinfectant.
UsesBenzyldodecyldimethylammonium bromide has been used in a study to assess the relation between chemical structure and germicidal efficacy in surface-active cations. It has also been used in a study to investigate pore size control during the synthesis of macroporous thermosensitive poly(N-isopropylacrylamide) hydrogels.
General DescriptionBenzyldodecyldimethylammonium bromide is a cationic surfactant that may be used as an adsorbent for certain metals such as Cr(VI).
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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