4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Basic information
- CAS
578701-28-7- Standard SMILES
Fc1ccc(-c2n[nH]c(=S)n2/N=C/c2c(F)cccc2Cl)cc1- InChIKey
GWGSZFRLDGTYCC-UFWORHAWSA-N- Molecular formula
- C15H9ClF2N4S
- Average molar mass
- 350.8 g/mol
- Monoisotopic mass
- 350.0204515
Names & identifiers
- Preferred name
- 4-((2-CL-6-Fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L406112-1EA
- Molecular formula
- C15H9ClF2N4S
- Molecular weight
- 350.78
Names & synonyms
578701-28-74-((2-CL-6-FLUOROBENZYLIDENE)AMINO)-5-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOLRefChem:509003643-300-24-((2-Chloro-6-fluorobenzylidene)amino)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thioneSTK579781AKOS005503684AKOS024320193ST50423045(E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol4-[(1E)-2-(6-chloro-2-fluorophenyl)-1-azavinyl]-5-(4-fluorophenyl)-1,2,4-triaz ole-3-thiol4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Show more names
SALOR-INT L406112-1EA3H-1,2,4-Triazole-3-thione, 4-[[(2-chloro-6-fluorophenyl)methylene]amino]-5-(4-fluorophenyl)-2,4-dihydro-
Database identifiers
- CAS
578701-28-7- PubChem CID
- 6889388
- EC Number
- 643-300-2
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- Boiling point
- 431.1 · 431.1±55.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 7.69 · 7.69±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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Compound notes
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