N-(1-(((4-Acetylanilino)carbothioyl)amino)-2,2,2-trichloroethyl)benzamide
Basic information
- CAS
303062-65-9- Standard SMILES
CC(=O)c1ccc(NC(=S)NC(NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1- InChIKey
QVJRZKFDOGFYIM-UHFFFAOYSA-N- Molecular formula
- C18H16Cl3N3O2S
- Average molar mass
- 444.8 g/mol
- Monoisotopic mass
- 443.002881
Names & identifiers
- Preferred name
- N-(1-(((4-Acetylanilino)carbothioyl)amino)-2,2,2-trichloroethyl)benzamide
- IUPAC
- N-[1-[(4-acetylphenyl)carbamothioylamino]-2,2,2-trichloroethyl]benzamide
- English name
- N-(1-{[(4-acetylphenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)benzamide
- Molecular formula
- C18H16Cl3N3O2S
- Molecular weight
- 444.76254
Names & synonyms
303062-65-9N-(1-(((4-ACETYLANILINO)CARBOTHIOYL)AMINO)-2,2,2-TRICHLOROETHYL)BENZAMIDERefChem:823421661-067-5N-[1-({[(4-acetylphenyl)amino]carbonothioyl}amino)-2,2,2-trichloroethyl]benzamideCBMicro_046498AKOS002686588N-[1-[(4-acetylphenyl)carbamothioylamino]-2,2,2-trichloroethyl]benzamideBIM-0046545.P001N-(1-{[(4-acetylphenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)benzamide
Database identifiers
- CAS
303062-65-9- PubChem CID
- 2887237
- EC Number
- 661-067-5
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 542
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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