Tetrapropylammonium iodide
Basic information
- CAS
631-40-3- Standard SMILES
CCC[N+](CCC)(CCC)CCC.[I-]- InChIKey
GKXDJYKZFZVASJ-UHFFFAOYSA-M- Molecular formula
- C12H28IN
- Average molar mass
- 313.26 g/mol
- Monoisotopic mass
- 313.12665
Names & identifiers
- Preferred name
- Tetrapropylammonium iodide
- IUPAC
- tetrapropylazanium iodide
- English name
- Tetrapropylammonium iodide
- Molecular formula
- C12H28IN
- Molecular weight
- 313.26
Names & synonyms
Tetrapropylammonium iodide631-40-3Tetra-N-propylammonium iodideNSC 36747Ammonium, tetrapropyl-, iodide1-Propanaminium, N,N,N-tripropyl-, iodide (1:1)EINECS 211-157-1N,N,N-Tripropyl-1-propanaminium iodide1-Propanaminium, N,N,N-tripropyl-, iodideDTXSID30883343RefChem:188868TetraNpropylammonium iodide
Show more names
[P4N]ITETRAPROPtetrapropyl-ammoniuiodideammonium,tetrapropyl-,iodideTetrapropylammonium Iodide >Tetrapropylammonium iodide, 99%TETRAPROPYLAMMONIUM IODIDE, 98+%
Ammonium, tetrapropyl, iodideDTXCID001022881N,N,NTripropyl1propanaminium iodide1Propanaminium, N,N,Ntripropyl, iodide211-157-1InChI=1/C12H28N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3/q+MFCD00011842tetrapropylazanium iodide
Database identifiers
- CAS
631-40-3- PubChem CID
- 12429
- DTXSID
DTXSID30883343- EC Number
- 211-157-1
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 80.2
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Vapor Pressure0.00000001 [mmHg]
Physical DescriptionLight yellow hygroscopic crystals; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 280 · 280-285 °C (dec.) (lit.)
- Density
- 1 · 1,313 g/cm3
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- SOLUBLE
- Sensitive
- Hygroscopic
- BRN
- 3567386 · 3567386
- InChI
- 1S/C12H28N.HI/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
- InChIKey
- GKXDJYKZFZVASJ-UHFFFAOYSA-M
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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryIntravenous LD50 (mouse) = 5.6 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Tetrapropylammonium bromide. See Iodine for the TLV of Iodides.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety & protection
Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor, (iodides)
Safety data
- F
- 8
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BS8410000
- hs_code
- 29239000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanaminium, N,N,N-tripropyl-, iodide (1:1): ACTIVE
Applications
UsesDADLE is a selective δ-OR agonist.
UsesTetrapropylammonium iodide is an organic compound commonly used as ionic liquids and catalysts. It can be used as a solvent in some chemical reactions, and can also be used as a catalyst to promote some organic synthesis reactions. In addition, the compound is also widely used in batteries, solar cells and pigments.
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Related reactions
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Compound notes
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