4-((2-BR-Benzylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazol-3-YL hydrosulfide
Basic information
- CAS
577763-98-5- Standard SMILES
Fc1ccccc1-c1n[nH]c(=S)n1/N=C/c1ccccc1Br- InChIKey
PKUMWODTLGLNFX-GIJQJNRQSA-N- Molecular formula
- C15H10BrFN4S
- Average molar mass
- 377.2 g/mol
- Monoisotopic mass
- 375.97936
Names & identifiers
- Preferred name
- 4-((2-BR-Benzylidene)amino)-5-(2-F-phenyl)-4H-1,2,4-triazol-3-YL hydrosulfide
- IUPAC
- 4-[(E)-(2-bromophenyl)methylideneamino]-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L468185-1EA
- Molecular formula
- C15H10BrFN4S
- Molecular weight
- 377.24
Names & synonyms
577763-98-54-((2-BR-BENZYLIDENE)AMINO)-5-(2-F-PHENYL)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDERefChem:508943655-733-44-((2-Bromobenzylidene)amino)-3-(2-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thioneSTK573978AKOS005498985AKOS024320283ST50423166(E)-4-((2-bromobenzylidene)amino)-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol4-[(1E)-2-(2-bromophenyl)-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole-3-thio l4-{[(E)-(2-bromophenyl)methylidene]amino}-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Show more names
SALOR-INT L468185-1EA3H-1,2,4-Triazole-3-thione, 4-[[(2-bromophenyl)methylene]amino]-5-(2-fluorophenyl)-2,4-dihydro-
Database identifiers
- CAS
577763-98-5- PubChem CID
- 6859577
- EC Number
- 655-733-4
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 484
Physicochemical properties
- Boiling point
- 455.521 · 455.521±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.587 · 1.587±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.421 · 8.421±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
- H315-H319-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…