Basic information
- CAS
594862-53-0- Standard SMILES
O=C1CCN(c2cccc(I)c2)C(=O)N1- InChIKey
UDCXFESTKZVVFM-UHFFFAOYSA-N- Molecular formula
- C10H9IN2O2
- Average molar mass
- 316.09 g/mol
- Monoisotopic mass
- 315.97088
Names & identifiers
- Preferred name
- 1-(3-Iodophenyl)dihydropyrimidine-2,4(1H,3H)-dione
- IUPAC
- 1-(3-iodophenyl)-1,3-diazinane-2,4-dione
Names & synonyms
594862-53-01-(3-Iodophenyl)dihydropyrimidine-2,4(1H,3H)-dioneDihydro-1-(3-iodophenyl)-2,4(1H,3H)-pyrimidinedioneMFCD237681101-(3-iodophenyl)-1,3-diazinane-2,4-dione1-(3-iodophenyl)hexahydropyrimidine-2,4-dioneSCHEMBL54470732,4(1H,3H)-Pyrimidinedione, dihydro-1-(3-iodophenyl)-UDCXFESTKZVVFM-UHFFFAOYSA-NAKOS018334975SY559592G75155
Show more names
F983185
Database identifiers
- CAS
594862-53-0- PubChem CID
- 69445129
- EC Number
- 161-705-8
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 283
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
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