(5E)-2-(4-Bromophenyl)-5-(4-(diethylamino)benzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
Basic information
- CAS
606949-23-9- Standard SMILES
CCN(CC)c1ccc(/C=c2/sc3nc(-c4ccc(Br)cc4)nn3c2=O)cc1- InChIKey
KJEYNDKIWPBOPX-QGOAFFKASA-N- Molecular formula
- C21H19BrN4OS
- Average molar mass
- 455.4 g/mol
- Monoisotopic mass
- 454.04629
Names & identifiers
- Preferred name
- (5E)-2-(4-Bromophenyl)-5-(4-(diethylamino)benzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one
- IUPAC
- (5E)-2-(4-bromophenyl)-5-[[4-(diethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
- English name
- SALOR-INT L429694-1EA
- Molecular formula
- C21H19BrN4OS
- Molecular weight
- 455.37
Names & synonyms
(5E)-2-(4-bromophenyl)-5-[4-(diethylamino)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one606949-23-9(5E)-2-(4-Bromophenyl)-5-(4-(diethylamino)benzylidene)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-oneRefChem:404248645-742-12-(4-Bromophenyl)-5-(4-(diethylamino)benzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-oneSTK814475AKOS002195377SALOR-INT L429694-1EAThiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 2-(4-bromophenyl)-5-[[4-(diethylamino)phenyl]methylene]-
Database identifiers
- CAS
606949-23-9- PubChem CID
- 2060740
- EC Number
- 645-742-1
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 583
Physicochemical properties
- Boiling point
- 628.9 · 628.9±65.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 5.43 · 5.43±0.44(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- 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
- H335-H315-H319
- 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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