Basic information
- CAS
302904-49-0- Standard SMILES
O=C(NC(NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl)c1ccc(F)cc1- InChIKey
HCYAEZZYMAFTJJ-UHFFFAOYSA-N- Molecular formula
- C16H12Cl3FIN3OS
- Average molar mass
- 546.6 g/mol
- Monoisotopic mass
- 544.87954
Names & identifiers
- Preferred name
- 4-Fluoro-N-(2,2,2-trichloro-1-(((4-iodoanilino)carbothioyl)amino)ethyl)benzamide
- IUPAC
- 4-fluoro-N-[2,2,2-trichloro-1-[(4-iodophenyl)carbamothioylamino]ethyl]benzamide
- English name
- 4-fluoro-N-(2,2,2-trichloro-1-{[(4-iodophenyl)carbamothioyl]amino}ethyl)benzamide
- Molecular formula
- C16H12Cl3FIN3OS
- Molecular weight
- 546.6128532
Names & synonyms
4-Fluoro-N-(2,2,2-trichloro-1-(((4-iodoanilino)carbothioyl)amino)ethyl)benzamide4-fluoro-N-(2,2,2-trichloro-1-{[(4-iodoanilino)carbothioyl]amino}ethyl)benzamideRefChem:523324302904-49-0663-931-7AKOS0026868574-fluoro-N-(2,2,2-trichloro-1-{[(4-iodophenyl)carbamothioyl]amino}ethyl)benzamide
Database identifiers
- CAS
302904-49-0- PubChem CID
- 5111685
- EC Number
- 663-931-7
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 496
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H410-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
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)
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 Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H410-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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