Methyltrioctylammonium bromide
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Basic information
- CAS
35675-80-0- Standard SMILES
CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[Br-]- InChIKey
QLPMKRZYJPNIRP-UHFFFAOYSA-M- Molecular formula
- C25H54BrN
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 447.34396
Names & identifiers
- Preferred name
- Methyltrioctylammonium bromide
- IUPAC
- methyl(trioctyl)azanium bromide
- English name
- Methyltrioctylammonium bromide
- Molecular formula
- C25H54BrN
- Molecular weight
- 448.62
Names & synonyms
35675-80-0Methyltrioctylammonium bromideTrioctylmethylammonium bromideAliquat 138Methyltricaprylylammonium bromide1-Octanaminium, N-methyl-N,N-dioctyl-, bromideUNII-I5T6470120I5T6470120DTXSID70467681RefChem:158345DTXCID00418500609-158-0
Show more names
[O3MN]BrTrihexylmethylammonium Bromidemethyl(trioctyl)azanium,bromideMethyltrioctylammonium bromide 97%Methyltrioctylammonium bromide,Trioctylmethylammonium bromide
N-Methyl-N,N-dioctyloctan-1-aminium bromidemethyl(trioctyl)azanium;bromideC25H54BrNMFCD000431611-Octanaminium, N-methyl-N,N-dioctyl-, bromide (1:1)SCHEMBL240975Methyl trioctyl ammonium nitrateCS-W011583
Database identifiers
- CAS
35675-80-0- PubChem CID
- 11503288
- DTXSID
DTXSID70467681- UNII
- I5T6470120
- EC Number
- 609-158-0
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 21
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 37 · 37-40 °C(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- Appearance
- White to off-white Solid
- BRN
- 6881659 · 6881659
- InChI
- 1S/C25H54N.BrH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1
- InChIKey
- QLPMKRZYJPNIRP-UHFFFAOYSA-M
- SMILES
- [Br-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC
- FDA UNII
- 5 T6470120 · I5T6470120
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H410
- Precautionary statements
- 260 · P260-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
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
Warning
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29239000
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H302-H314-H410
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 1Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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