N-Methylisoquinolinium iodide
Basic information
- CAS
3947-77-1- Standard SMILES
C[n+]1ccc2ccccc2c1.[I-]- InChIKey
ITZIDCFSZHTXJH-UHFFFAOYSA-M- Molecular formula
- C10H10IN
- Average molar mass
- 271.1 g/mol
- Monoisotopic mass
- 270.9858
Names & identifiers
- Preferred name
- N-Methylisoquinolinium iodide
- IUPAC
- 2-methylisoquinolin-2-ium iodide
- English name
- 2-Methylisoquinoliniumiodide
- Molecular weight
- 0
Names & synonyms
N-Methylisoquinolinium iodideRefChem:4761003947-77-12-methylisoquinolin-2-ium iodide2-Methylisoquinolinium iodide2-methylisoquinoliniumiodide2-methylisoquinolin-2-ium;iodideIsoquinoline methiodideN-Methylisoquinoline iodideNSC 43873NSC 131713ISOQUINOLINIUM, 2-METHYL-, IODIDE
Show more names
2-methylisoquinolin-2-ium:iodide2-Methylisoquinoline-2-ium·iodide
AI3-51341SCHEMBL4322463SCHEMBL29850551DTXSID00960099NSC43873NSC-43873NSC1317132-methylisoquinolin-2-ium hydroiodide
Database identifiers
- CAS
3947-77-1- PubChem CID
- 19850
- DTXSID
DTXSID00960099- EC Number
- 636-413-3
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Melting point
- 161 · 161-163 °C
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H302-H315-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H302-H315-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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