Basic information
- CAS
303086-50-2- Standard SMILES
CCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1- InChIKey
GRRVHBNWAIGOLY-VFCFBJKWSA-N- Molecular formula
- C26H33IN2O3
- Average molar mass
- 548.5 g/mol
- Monoisotopic mass
- 548.15359
Names & identifiers
- Preferred name
- 4-(2-Dodecanoylcarbohydrazonoyl)phenyl 2-iodobenzoate
- IUPAC
- [4-[(E)-(dodecanoylhydrazinylidene)methyl]phenyl] 2-iodobenzoate
Names & synonyms
4-(2-DODECANOYLCARBOHYDRAZONOYL)PHENYL 2-IODOBENZOATERefChem:512424303086-50-2658-837-8AKOS024401122
Database identifiers
- CAS
303086-50-2- PubChem CID
- 9656802
- EC Number
- 658-837-8
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 561
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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