Basic information
- CAS
162936-36-9- Standard SMILES
CC(C)(C)OC(=O)CCc1ccc(I)cc1- InChIKey
UOEYILQHHVNJIV-UHFFFAOYSA-N- Molecular formula
- C13H17IO2
- Average molar mass
- 332.18 g/mol
- Monoisotopic mass
- 332.02733
Names & identifiers
- Preferred name
- Tert-butyl 3-(4-iodophenyl)propanoate
- IUPAC
- tert-butyl 3-(4-iodophenyl)propanoate
Names & synonyms
Tert-butyl 3-(4-iodophenyl)propanoate162936-36-9RefChem:892979966-197-9MFCD32642805SCHEMBL4409312DB-189170EN300-33278268
Database identifiers
- CAS
162936-36-9- PubChem CID
- 10471925
- EC Number
- 966-197-9
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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
Loading…