Basic information
- CAS
573932-68-0- Standard SMILES
COc1ccc(-c2nnc(SCc3ccccc3F)n2N)cc1- InChIKey
XLFJKVOQTXHMHZ-UHFFFAOYSA-N- Molecular formula
- C16H15FN4OS
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.09506045
Names & identifiers
- Preferred name
- 3-((2-Fluorobenzyl)thio)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-amine
- IUPAC
- 3-[(2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine
- English name
- SALOR-INT L405485-1EA
- Molecular formula
- C16H15FN4OS
- Molecular weight
- 330.38
Names & synonyms
3-((2-Fluorobenzyl)thio)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-amine573932-68-0RefChem:488271643-346-3STL302920AKOS0011025623-[(2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amineUPCMLD0ENAT5397417:001CS-0302781ST50083353Z220767043-[(2-fluorobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-amine
Show more names
SALOR-INT L405485-1EA4H-1,2,4-Triazol-4-amine, 3-[[(2-fluorophenyl)methyl]thio]-5-(4-methoxyphenyl)-
3-[(2-fluorophenyl)methylthio]-5-(4-methoxyphenyl)-1,2,4-triazole-4-ylamine
Database identifiers
- CAS
573932-68-0- PubChem CID
- 734992
- EC Number
- 643-346-3
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Boiling point
- 546.7 · 546.7±60.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 1.54 · 1.54±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- 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
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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