Basic information
- CAS
39795-01-2- Standard SMILES
CC[n+]1ccc(-c2ccccc2)cc1.[I-]- InChIKey
PJJJNBJUCAETAB-UHFFFAOYSA-M- Molecular formula
- C13H14IN
- Average molar mass
- 311.16 g/mol
- Monoisotopic mass
- 311.0171
Names & identifiers
- Preferred name
- 1-Ethyl-4-phenylpyridinium iodide
- IUPAC
- 1-ethyl-4-phenylpyridin-1-ium iodide
- English name
- 1-ethyl-4-phenylpyridinium iodide
- Molecular formula
- C13H14IN
- Molecular weight
- 0
Names & synonyms
1-Ethyl-4-phenylpyridinium iodideRefChem:432558630-973-239795-01-21-ethyl-4-phenylpyridin-1-ium;iodideN-Ethyl-4-phenylpyridinium iodide1-ethyl-4-phenylpyridin-1-ium iodidePyridinium, 1-ethyl-4-phenyl-, iodideSCHEMBL7968992DTXSID50960362
Database identifiers
- CAS
39795-01-2- PubChem CID
- 217874
- DTXSID
DTXSID50960362- EC Number
- 630-973-2
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 117 · 117-128 °C(lit.)
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 311 · H311-H319-H301-H315-H373-H331-H335
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P260-P314-P501
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25-33-36/37/38
- Safety Statements
- 26 · 26-27-36/37/39-45
- RIDADR
- 2811 · 2811
- RTECS
- 4025100 · UU4025100
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- rtecs
- UU4025100
- ridadr
- 2811
- risk_code
- 23/24/25-33-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- hazard_code
- T
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H311-H319-H301-H315-H373-H331-H335
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P260-P314-P501
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…