3-BR-N-(2,2,2-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)carbothioyl)amino)ET)benzamide
Basic information
- CAS
406915-57-9- Standard SMILES
Cc1cc(Br)c(NC(=S)NC(NC(=O)c2cccc(Br)c2)C(Cl)(Cl)Cl)c(Br)c1- InChIKey
ZTRMTHAQUDHGJP-UHFFFAOYSA-N- Molecular formula
- C17H13Br3Cl3N3OS
- Average molar mass
- 653.4 g/mol
- Monoisotopic mass
- 648.7395
Names & identifiers
- Preferred name
- 3-BR-N-(2,2,2-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)carbothioyl)amino)ET)benzamide
- IUPAC
- 3-bromo-N-[2,2,2-trichloro-1-[(2,6-dibromo-4-methylphenyl)carbamothioylamino]ethyl]benzamide
- English name
- SALOR-INT L473375-1EA
- Molecular formula
- C17H13Br3Cl3N3OS
- Molecular weight
- 653.44
Names & synonyms
3-BR-N-(2,2,2-TRI-CL-1-(((2,6-DI-BR-4-ME-ANILINO)CARBOTHIOYL)AMINO)ET)BENZAMIDERefChem:498090406915-57-9655-678-6AKOS002686788SALOR-INT L473375-1EA
Database identifiers
- CAS
406915-57-9- PubChem CID
- 4511299
- EC Number
- 655-678-6
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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