4-(4-Bromophenyl)-3-((1-naphthylmethyl)thio)-5-phenyl-4H-1,2,4-triazole
Basic information
- CAS
763139-03-3- Standard SMILES
Brc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)cc1- InChIKey
LDFZFBJHBUZOEV-UHFFFAOYSA-N- Molecular formula
- C25H18BrN3S
- Average molar mass
- 472.4 g/mol
- Monoisotopic mass
- 471.04048
Names & identifiers
- Preferred name
- 4-(4-Bromophenyl)-3-((1-naphthylmethyl)thio)-5-phenyl-4H-1,2,4-triazole
- IUPAC
- 4-(4-bromophenyl)-3-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1,2,4-triazole
Names & synonyms
763139-03-34-(4-BROMOPHENYL)-3-((1-NAPHTHYLMETHYL)THIO)-5-PHENYL-4H-1,2,4-TRIAZOLERefChem:513944644-135-94-(4-Bromophenyl)-3-((naphthalen-1-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazole4-(4-bromophenyl)-3-{[(naphthalen-1-yl)methyl]sulfanyl}-5-phenyl-4H-1,2,4-triazoleAKOS024416245
Database identifiers
- CAS
763139-03-3- PubChem CID
- 3472091
- EC Number
- 644-135-9
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 534
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%)
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Related reactions
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Compound notes
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