Basic information
- CAS
866-97-7- Standard SMILES
CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Br-]- InChIKey
SPALIFXDWQTXKS-UHFFFAOYSA-M- Molecular formula
- C20H44BrN
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 377.26571
Names & identifiers
- Preferred name
- Tetrapentylammonium bromide
- IUPAC
- tetrapentylazanium bromide
- English name
- Tetrapentylammonium bromide
- Molecular formula
- C20H44BrN
- Molecular weight
- 378.48
Names & synonyms
Tetrapentylammonium bromide866-97-71-Pentanaminium, N,N,N-tripentyl-, bromide (1:1)DTXSID40883596RefChem:188828DTXCID001023110212-756-0Tetraamylammonium bromidetetrapentylazanium;bromidetetra-n-amylammonium bromidetetrapentylazanium bromideMFCD00011856
Show more names
Tetraamylaminium·bromideTetrapentylaminium·bromideTETRA-N-PENTYLAMMONIUM BROMIDETETRAPENTYLAMMONIUM BROMIDE, 99+%TETRAPENTYLAMMONIUM BROMIDE, FOR IPCTetrapentylaMMoniuM broMide, 99+% 5GRn,n,n-tripentyl-1-pentanaminiubromide
n,n,n-tripentylpentan-1-aminium bromide1-Pentanaminium, N,N,N-tripentyl-, bromideEINECS 212-756-0Ammonium bromide, tetra(n-pentyl)-TetraamylammoniumBromidetetrapentylammonium;bromidetetrapentyl ammonium bromideSCHEMBL886867
Database identifiers
- CAS
866-97-7- PubChem CID
- 70086
- DTXSID
DTXSID40883596- EC Number
- 212-756-0
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Physical DescriptionWhite hygroscopic flakes; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 100 · 100-101 °C (lit.)
- Density
- 0.92333 g/cm3 · 0.92333 g/cm3 (35.00℃)
- refractive index
- 1.526 · 1.5260 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- Water Solubility
- Soluble in water
- form
- Shiny Flakes
- color
- White
- PH
- pH(10g/l, 25℃) : 5.0～7.0
- λmax
- 240 nm · λ: 240 nm Amax: 0.04λ: 250 nm Amax: 0.03λ: 260 nm Amax: 0.02λ: 500 nm Amax: 0.02
- BRN
- 3658171 · 3658171
- InChI
- InChI=1S/C20H44N.BrH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1
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 (100%): 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 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1-Pentanaminium, N,N,N-tripentyl-, bromide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryAn irritant; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29239000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Pentanaminium, N,N,N-tripentyl-, bromide (1:1): ACTIVE
Applications
UsesTetrapentylammonium bromide can be used:As a versatile structure-directing agent for the synthesis of Zeolite-like heterobimetallic cyanide frameworks.As an alkylating agent for rhodium(I)-catalyzed alkylation reaction of benzylic amines and for N-alkylation of azaheterocycles.As a precursor to prepare a Cobalt-complex, {[(Pentyl)4N]3CoBr3}Cl2, which is used as a catalyst in the synthesis of multiwalled carbon nanotubes (MWCNTs).Electrochemical synthesis of stable graphite intercalation compounds (GICs) containing tetrapentylammonium cations has been reported.
General DescriptionTetrapentylammonium bromide is a quaternary ammonium salt with pentyl chains and a bromide counterion, which is generally used as a phase transfer catalyst.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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