Basic information
- CAS
618073-43-1- Standard SMILES
CC(C)Oc1ccc(-c2nc3s/c(=C/c4cccc(Br)c4)c(=O)n3n2)cc1- InChIKey
UVFVKMOMHPOSNK-GZTJUZNOSA-N- Molecular formula
- C20H16BrN3O2S
- Average molar mass
- 442.3 g/mol
- Monoisotopic mass
- 441.01466
Names & identifiers
- Preferred name
- (5E)-5-(3-Bromobenzylidene)-2-(4-isopropoxyphenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
- IUPAC
- (5E)-5-[(3-bromophenyl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
- English name
- SALOR-INT L423084-1EA
- Molecular formula
- C20H16BrN3O2S
- Molecular weight
- 442.33
Names & synonyms
618073-43-1(5E)-5-(3-bromobenzylidene)-2-(4-isopropoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one(5E)-5-(3-Bromobenzylidene)-2-(4-isopropoxyphenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-oneRefChem:404317637-706-95-(3-Bromobenzylidene)-2-(4-isopropoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-oneSTK813859AKOS001685599(5E)-5-(3-bromobenzylidene)-2-[4-(propan-2-yloxy)phenyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-oneSALOR-INT L423084-1EAThiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-[(3-bromophenyl)methylene]-2-[4-(1-methylethoxy)phenyl]-
Database identifiers
- CAS
618073-43-1- PubChem CID
- 2285201
- EC Number
- 637-706-9
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Boiling point
- 608.155 · 608.155±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.527 · 1.527±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.072 · -0.072±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-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
- H335-H315-H319
- 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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