Basic information
- CAS
4368-51-8- Standard SMILES
CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Br-]- InChIKey
YQIVQBMEBZGFBY-UHFFFAOYSA-M- Molecular formula
- C28H60BrN
- Average molar mass
- 490.7 g/mol
- Monoisotopic mass
- 489.39091
Names & identifiers
- Preferred name
- Tetraheptylammonium bromide
- IUPAC
- tetraheptylazanium bromide
- English name
- Tetraheptylammonium bromide
- Molecular formula
- C28H60BrN
- Molecular weight
- 490.69
Names & synonyms
Tetraheptylammonium bromide1-Heptanaminium, N,N,N-triheptyl-, bromideEINECS 224-459-3DTXSID208840661-Heptanaminium, N,N,N-triheptyl-, bromide (1:1)RefChem:188599DTXCID8010235381Heptanaminium, N,N,Ntriheptyl, bromide224-459-34368-51-8tetraheptylazanium;bromideTetra-n-Heptylammonium Bromide
Show more names
TetraheptyLtetraheptylazaniumTetraheptylaminium·bromideTetraheptylAmmoniumBromideGrTetraheptylammoniumBromide99%Tatre-n-heptylammonium Bromide
MFCD00011861THPABtetraheptylazanium bromidetetraheptylammoniumbromideSCHEMBL514421tetra-n-heptylammoniumbromideC28H60BrNN,N,N-Triheptyl-1-heptanaminium Bromide;Tetraheptylammonium Bromide; Tetraheptylammonium Bromide;Tetra(n-heptyl)ammonium Bromide
Database identifiers
- CAS
4368-51-8- PubChem CID
- 78073
- DTXSID
DTXSID20884066- EC Number
- 224-459-3
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 24
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 237
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Physical DescriptionWhite flakes or powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 87 · 87-89 °C(lit.)
- Density
- 1.0311 · 1.0311 (rough estimate)
- refractive index
- 1.526 · 1.5260 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Flakes
- color
- White
- Odor
- Odorless
- Water Solubility
- Soluble in water and methanol.
- Sensitive
- Hygroscopic
- 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
- 3763391 · 3763391
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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; [Alfa Aesar 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
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Heptanaminium, N,N,N-triheptyl-, bromide (1:1): ACTIVE
Applications
UsesTetraheptylammonium Bromide is a catalyst in organic polymer synthesis involving redox-active crystals of polymetalate. Reagent used in the preparation of ionic liquids as novel quartz collectors.
General DescriptionTetraheptylammonium bromide is a quaternary ammonium compound (QAC) mainly used as a phase-transfer agent.
Upstream & downstream products
Upstream raw materials
Suppliers100 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]
上海康朗生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…