Basic information
- CAS
114554-51-7- Standard SMILES
O=C1CSC(=N/N=C/c2cc(Br)ccc2O)N1- InChIKey
BUPWPQSTALKSKT-UUILKARUSA-N- Molecular formula
- C10H8BrN3O2S
- Average molar mass
- 314.16 g/mol
- Monoisotopic mass
- 312.95206
Names & identifiers
- Preferred name
- 2-[(E)-2-[(5-bromo-2-hydroxyphenyl)methylene]hydrazino]-1,3-thiazol-4(5H)-one
- IUPAC
- 2-[(E)-(5-bromo-2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
- English name
- (E)-2-(2-(5-bromo-2-hydroxybenzylidene)hydrazinyl)thiazol-4(5H)-one
- Molecular formula
- C10H8BrN3O2S
- Molecular weight
- 314.16
Names & synonyms
114554-51-7F1008-0216SMSSF-00625792-[(E)-2-[(5-bromo-2-hydroxyphenyl)methylene]hydrazino]-1,3-thiazol-4(5H)-one(E)-2-(2-(5-bromo-2-hydroxybenzylidene)hydrazinyl)thiazol-4(5H)-one5-BROMO-2-HYDROXYBENZALDEHYDE (4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL)HYDRAZONEBenzaldehyde, 5-bromo-2-hydroxy-, 2-(4,5-dihydro-4-oxo-2-thiazolyl)hydrazone
Database identifiers
- CAS
114554-51-7- PubChem CID
- 137192574
- EC Number
- 122-583-1
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Melting point
- 291 · 291-292 °C
- Boiling point
- 456.1 · 456.1±55.0 °C(Predicted)
- Density
- 1.82 · 1.82±0.1 g/cm3(Predicted)
- pka
- 7.92 · 7.92±0.48(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers4 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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