3,4,5-Trimethoxy-N-(2,2,2-trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)benzamide
Basic information
- CAS
303062-50-2- Standard SMILES
COc1cc(C(=O)NC(NC(=S)Nc2cccc3ccccc23)C(Cl)(Cl)Cl)cc(OC)c1OC- InChIKey
XHANDBONSVZZSU-UHFFFAOYSA-N- Molecular formula
- C23H22Cl3N3O4S
- Average molar mass
- 542.9 g/mol
- Monoisotopic mass
- 541.03966
Names & identifiers
- Preferred name
- 3,4,5-Trimethoxy-N-(2,2,2-trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)benzamide
- IUPAC
- 3,4,5-trimethoxy-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]benzamide
- English name
- 3,4,5-Trimethoxy-N-(2,2,2-trichloro-1-{[(1-naphthylamino)carbothioyl]amino}ethyl)benzamide
- Molecular formula
- C23H22Cl3N3O4S
- Molecular weight
- 542.86
Names & synonyms
303062-50-23,4,5-TRIMETHOXY-N-(2,2,2-TRICHLORO-1-{[(1-NAPHTHYLAMINO)CARBOTHIOYL]AMINO}ETHYL)BENZAMIDE3,4,5-Trimethoxy-N-(2,2,2-trichloro-1-(((1-naphthylamino)carbothioyl)amino)ethyl)benzamideRefChem:485738661-146-43,4,5-trimethoxy-N-(2,2,2-trichloro-1-{[(1-naphthylamino)carbonothioyl]amino}ethyl)benzamideCBMicro_031518CCG-4093AKOS0026866583,4,5-trimethoxy-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]benzamideBIM-0031628.P001Benzamide, 3,4,5-trimethoxy-N-[2,2,2-trichloro-1-[[(1-naphthalenylamino)thioxomethyl]amino]ethyl]-
Database identifiers
- CAS
303062-50-2- PubChem CID
- 2887458
- EC Number
- 661-146-4
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 685
Physicochemical properties
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- 10.92 · 10.92±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H413-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, 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
- Hazard statements
- H335-H413-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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