2-(2-Bromobenzylidene)-6-ME-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
Basic information
- CAS
463367-02-4- Standard SMILES
Cc1nn2c(=O)/c(=C/c3ccccc3Br)sc2nc1=O- InChIKey
HVWNVMVSSDMZDZ-POHAHGRESA-N- Molecular formula
- C13H8BrN3O2S
- Average molar mass
- 350.19 g/mol
- Monoisotopic mass
- 348.95206
Names & identifiers
- Preferred name
- 2-(2-Bromobenzylidene)-6-ME-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
- IUPAC
- (2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
- English name
- SALOR-INT L420794-1EA
- Molecular formula
- C13H8BrN3O2S
- Molecular weight
- 350.19
Names & synonyms
463367-02-42-(2-BROMOBENZYLIDENE)-6-ME-7H-(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZINE-3,7(2H)-DIONERefChem:453421638-708-22-(2-Bromobenzylidene)-6-methyl-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dioneSTK813677AKOS001705950(2Z)-2-[(2-bromophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dioneZ577833702-(2-bromobenzylidene)-6-methyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione(2Z)-2-(2-bromobenzylidene)-6-methyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dioneSALOR-INT L420794-1EA
Show more names
7H-Thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, 2-[(2-bromophenyl)methylene]-6-methyl-
Database identifiers
- CAS
463367-02-4- PubChem CID
- 2188391
- EC Number
- 638-708-2
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 570
Physicochemical properties
- Boiling point
- 466.6 · 466.6±55.0 °C(Predicted)
- Density
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- pka
- -2.9 · -2.90±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- 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
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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