4-(Iodomethyl)-1,3-dioxane
Basic information
- CAS
402715-77-9- Standard SMILES
ICC1CCOCO1- InChIKey
GYIGHSHTOHPLOL-UHFFFAOYSA-N- Molecular formula
- C5H9IO2
- Average molar mass
- 228.03 g/mol
- Monoisotopic mass
- 227.96473
Names & identifiers
- Preferred name
- 4-(Iodomethyl)-1,3-dioxane
- IUPAC
- 4-(iodomethyl)-1,3-dioxane
Names & synonyms
4-(iodomethyl)-1,3-dioxane402715-77-9RefChem:516211971-473-7AKOS026727261EN300-74505G57937
Database identifiers
- CAS
402715-77-9- PubChem CID
- 54592804
- EC Number
- 971-473-7
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 67.4
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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