Basic information
- CAS
68-05-3- Standard SMILES
CC[N+](CC)(CC)CC.[I-]- InChIKey
UQFSVBXCNGCBBW-UHFFFAOYSA-M- Molecular formula
- C8H20N.I
- Average molar mass
- 257.16 g/mol
Overview
See also: Tetraethylammonium (has active moiety).
Names & identifiers
- Preferred name
- Tetraethylammonium Iodide
- IUPAC
- tetraethylazanium iodide
- English name
- Tetraethylammonium iodide
- Molecular formula
- C8H20IN
- Molecular weight
- 257.16
Names & synonyms
Show more names
Database identifiers
- CAS
68-05-3- PubChem CID
- 6225
- DTXSID
DTXSID80883217- UNII
- 5YC77AN7EB
- EC Number
- 200-676-9
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 47.5
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 300 °C · >300 °C (lit.)
- Density
- 1.559 · 1.5590
- Flash point
- 80 ℃ · 80℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 0.1 g/mL · methanol: 0.1 g/mL hot, clear, colorless
- form
- Solid
- color
- White crystalline
- Specific Gravity
- 1.559 · 1.559
- PH
- pH(50g/l, 25℃) : 4.0~7.0
- Odor
- Odorless
- Water Solubility
- Soluble in water almost transparency.
- Sensitive
- Light Sensitive & Hygroscopic
- BRN
- 3562649 · 3562649
- InChI
- 1S/C8H20N.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
- InChIKey
- UQFSVBXCNGCBBW-UHFFFAOYSA-M
- SMILES
- [I-].CC[N+](CC)(CC)CC
- CAS DataBase Reference
- 68 · 68-05-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 YC77AN7EB · 5YC77AN7EB
- NIST Chemistry Reference
- Tetraethylammonium iodide(68-05-3)
- EPA Substance Registry System
- Tetraethylammonium iodide (68-05-3)
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-24/25
- WGK Germany
- 3 · 3
- RTECS
- 7365000 · BS7365000
- F
- 8 · 8-21
- TSCA
- TSCA listed
- HS Code
- 29239000 · 29239000
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 3.5% (2 of 57) of reports.
Warning
H315 (96.5%): 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 57 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanaminium, N,N,N-triethyl-, iodide
Status: Active Update: 11-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33367
Ethanaminium, N,N,N-triethyl-, iodide: Does not have an individual approval but may be used under an appropriate group standard
Safety & protection
Protective Action Criteria (PAC)
0.11 [mg/m3]
1.3 [mg/m3]
7.6 [mg/m3]
Safety data
- F
- 8-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BS7365000
- hs_code
- 29239000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Pharmacology
Uses & manufacturing
Applications
UsesTetraethylammonium iodide is a quaternary ammonium compound with the chemical formula C8H20N+I. It has been used as the source of tetraethylammonium ions in pharmacological and physiological studies, but is also used in organic chemical synthesis.Reagent for conversion of ,-enones in TFA to b-iodo ketones in high yield.
Upstream & downstream products
Downstream products
Suppliers100 total
Related reactions
Compound notes
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