5-(3-Fluorobenzylidene)-2-phenyl(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
Basic information
- CAS
606955-18-4- Standard SMILES
O=c1/c(=C\c2cccc(F)c2)sc2nc(-c3ccccc3)nn12- InChIKey
UKMUSQXOJFAGMW-GXDHUFHOSA-N- Molecular formula
- C17H10FN3OS
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.05286129
Names & identifiers
- Preferred name
- 5-(3-Fluorobenzylidene)-2-phenyl(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
- IUPAC
- (5E)-5-[(3-fluorophenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
- English name
- SALOR-INT L427497-1EA
- Molecular formula
- C17H10FN3OS
- Molecular weight
- 323.35
Names & synonyms
606955-18-45-(3-FLUOROBENZYLIDENE)-2-PHENYL(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZOL-6(5H)-ONERefChem:529928645-535-65-(3-Fluorobenzylidene)-2-phenylthiazolo[3,2-b][1,2,4]triazol-6(5H)-oneSTK814246AKOS002194043(5E)-5-(3-fluorobenzylidene)-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-oneSALOR-INT L427497-1EA
Database identifiers
- CAS
606955-18-4- PubChem CID
- 2186459
- EC Number
- 645-535-6
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Boiling point
- 533.07 · 533.070±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.424 · 1.424±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.222 · -0.222±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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