2-{[5-[(4-Tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-(2,6-dichlorophenyl)acetamide
Basic information
- CAS
539808-79-2- Standard SMILES
Cc1ccccc1-n1c(COc2ccc(C(C)(C)C)cc2)nnc1SCC(=O)Nc1c(Cl)cccc1Cl- InChIKey
RPFGFTBJBUHWDA-UHFFFAOYSA-N- Molecular formula
- C28H28Cl2N4O2S
- Average molar mass
- 555.5 g/mol
- Monoisotopic mass
- 554.1310027
Names & identifiers
- Preferred name
- 2-{[5-[(4-Tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-(2,6-dichlorophenyl)acetamide
- IUPAC
- 2-[[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dichlorophenyl)acetamide
- English name
- SALOR-INT L444170-1EA
- Molecular formula
- C28H28Cl2N4O2S
- Molecular weight
- 555.52
Names & synonyms
539808-79-22-({5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,6-dichlorophenyl)acetamide2-{[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dichlorophenyl)acetamide2-((5-((4-TERT-BUTYLPHENOXY)METHYL)-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2,6-DICHLOROPHENYL)ACETAMIDERefChem:449398644-734-52-((5-((4-(tert-Butyl)phenoxy)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-dichlorophenyl)acetamideSTK680601AKOS016366871SALOR-INT L444170-1EA2-[[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dichlorophenyl)acetamide2-([5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(2,6-DICHLOROPHENYL)ACETAMIDE
Show more names
Acetamide, N-(2,6-dichlorophenyl)-2-[[5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-
Database identifiers
- CAS
539808-79-2- PubChem CID
- 5160909
- EC Number
- 644-734-5
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 723
Physicochemical properties
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 11.05 · 11.05±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H413
- 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, 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 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-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
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Compound notes
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