3-Fluorobenzyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide
Basic information
- CAS
578004-37-2- Standard SMILES
Cn1c(SCc2cccc(F)c2)nnc1-c1ccco1- InChIKey
VQHGLKWVUWYMAF-UHFFFAOYSA-N- Molecular formula
- C14H12FN3OS
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.06851135
Names & identifiers
- Preferred name
- 3-Fluorobenzyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-YL sulfide
- IUPAC
- 3-[(3-fluorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole
- English name
- SALOR-INT L405345-1EA
- Molecular formula
- C14H12FN3OS
- Molecular weight
- 289.33
Names & synonyms
578004-37-23-FLUOROBENZYL 5-(2-FURYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL SULFIDERefChem:501947643-152-93-((3-Fluorobenzyl)thio)-5-(furan-2-yl)-4-methyl-4H-1,2,4-triazoleSTK4754233-[(3-fluorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazoleAKOS002186723ST500824033-[(3-fluorobenzyl)sulfanyl]-5-(furan-2-yl)-4-methyl-4H-1,2,4-triazole3-[(3-fluorobenzyl)thio]-5-(2-furyl)-4-methyl-4H-1,2,4-triazole3-[(3-fluorophenyl)methylthio]-5-(2-furyl)-4-methyl-1,2,4-triazole
Show more names
SALOR-INT L405345-1EA4H-1,2,4-Triazole, 3-[[(3-fluorophenyl)methyl]thio]-5-(2-furanyl)-4-methyl-
3-{[(3-fluorophenyl)methyl]sulfanyl}-5-(furan-2-yl)-4-methyl-4H-1,2,4-triazole
Database identifiers
- CAS
578004-37-2- PubChem CID
- 936742
- EC Number
- 643-152-9
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 463.5 · 463.5±55.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 1.09 · 1.09±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- 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
- H315-H335-H319
- 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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