Tetrahexylammonium bromide

HCID 78026

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Basic information

CAS: 4328-13-6
Standard SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[Br-]
InChIKey: SYZCZDCAEVUSPM-UHFFFAOYSA-M
Molecular formula: C24H52BrN
Average molar mass: 434.6 g/mol
Monoisotopic mass: 433.32831

Names & identifiers

Preferred name: Tetrahexylammonium bromide
IUPAC: tetrahexylazanium bromide
English name: TETRA-N-HEXYLAMMONIUM BROMIDE
Molecular formula: C24H52BrN
Molecular weight: 434.58

Names & synonyms

Tetrahexylammonium bromide4328-13-61-Hexanaminium, N,N,N-trihexyl-, bromide (1:1)DTXSID50884059RefChem:75908DTXCID901023531224-363-1tetra-n-Hexylammonium bromidetetrahexylazanium bromidetetrahexylazanium;bromide1-Hexanaminium, N,N,N-trihexyl-, bromideC24H52BrN

Show more names

TetrahexyLTetrahexylammonium btherTetrahexylaminium·bromidetetrahexanaminium bromideTatrehexylammonium BromideTetrahexylammoniumBromide99%Tetrahexylammonium Bromide 99%Tetra-n-hexylammoniumbromide,98+%

MFCD00011858SCHEMBL82322AKOS015833006CS-W011616N,N,N-Trihexylhexan-1-aminium bromideAS-58722D70474Tetrahexylammonium bromide, 99%

Database identifiers

CAS: 4328-13-6
PubChem CID: 78026
DTXSID: DTXSID50884059
EC Number: 224-363-1

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 20
Heavy atoms: 26
Formal charge: 0
Complexity: 195

Physicochemical properties

Melting point: 99 · 99-100 °C (lit.)
Density: 1.0628 · 1.0628 (rough estimate)
refractive index: 1.526 · 1.5260 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: almost transparency in Methanol
form: Powder or Flakes
color: White to light yellow
λmax: 240 nm · λ: 240 nm Amax: 0.06λ: 250 nm Amax: 0.04λ: 260 nm Amax: 0.03λ: 500 nm Amax: 0.03
Sensitive: Hygroscopic
BRN: 3637302 · 3637302
InChI: 1S/C24H52N.BrH/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1
InChIKey: SYZCZDCAEVUSPM-UHFFFAOYSA-M
SMILES: [Br-].CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
CAS DataBase Reference: 4328 · 4328-13-6(CAS DataBase Reference)
EPA Substance Registry System: Tetrahexylammonium bromide (4328-13-6)

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 · 4 items

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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information1-Hexanaminium, N,N,N-trihexyl-, 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.

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: 26-36
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Hexanaminium, N,N,N-trihexyl-, bromide (1:1): ACTIVE

Applications · 2 items

UsesTetrahexylammonium bromide can be used:As a hydrogen bond acceptor in the preparation of deep eutectic solvents which can be used for desulfurization and denitrogenation from n-heptane.To produce aqueous biphasic system for the heavy metal ions preconcentration.As a phase transfer salt to fabricate an optical chemical gas-sensor.

General DescriptionThe utilization of ion-pairing reagents as mobile phase additives allows the elution of ionic and highly polar substances using reversed phase HPLC columns. The purity of mobile phase additives is a prime factor to their successful application. Sigma-Aldrich offers an outstanding collection of tailor-made reagents for anionic (quaternary ammonium and phosphonium salts) and cationic (alkanesulfonates) analyzes. All mobile phase additives are rigorously tested with special emphasis on the requirements of modern reversed phase HPLC:

Suppliers97 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

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Compound notes

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