Basic information
- CAS
351005-67-9- Standard SMILES
O=C(NC(NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1ccc(I)cc1- InChIKey
RXQVYBYUKVPRHO-UHFFFAOYSA-N- Molecular formula
- C16H12Cl3IN4O3S
- Average molar mass
- 573.6 g/mol
- Monoisotopic mass
- 571.87404
Names & identifiers
- Preferred name
- 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide
- IUPAC
- 4-iodo-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]benzamide
Names & synonyms
4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide351005-67-9DTXSID701125830AKOS0244193794-Iodo-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide4-Iodo-N-[2,2,2-trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzamide
Database identifiers
- CAS
351005-67-9- PubChem CID
- 4549720
- DTXSID
DTXSID701125830- EC Number
- 148-615-4
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 582
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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