Basic information
- CAS
105544-36-3- Standard SMILES
O=C1COc2ncc(Br)cc2N1- InChIKey
UTPFXZJAASMEDW-UHFFFAOYSA-N- Molecular formula
- C7H5BrN2O2
- Average molar mass
- 229.03 g/mol
- Monoisotopic mass
- 227.9534395
Names & identifiers
- Preferred name
- 7-bromo-1H,2H,3H-pyrido[2,3-b][1,4]oxazin-2-one
- IUPAC
- 7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-one
- English name
- 7-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one
- Molecular formula
- C7H5BrN2O2
- Molecular weight
- 229.03
Names & synonyms
7-bromo-1H,2H,3H-pyrido[2,3-b][1,4]oxazin-2-one7-bromo-1H,2H,3H-pyrido(2,3-b)(1,4)oxazin-2-oneRefChem:545605877-980-97-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one105544-36-31H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one, 7-bromo-7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2-oneMFCD01648627AKOS015835854CS-W019103AB09637
Show more names
:1H-Pyrido[2,3-b][1,4]oxazin-2(3H)-one,7-broMo6-bromo-1,2-dihydropyrido[2,3-b][1,4]oxazin-3-one7-Bromo-1H-pyrrolo [2,3-B] [1,4] oxazine-2 (3H) - one
SY060496Z12692436817-bromo-2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine7-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one, AldrichCPRAM20061775FT-0645718SCHEMBL393577DTXSID10404631
Database identifiers
- CAS
105544-36-3- PubChem CID
- 4590141
- DTXSID
DTXSID10404631- EC Number
- 877-980-9
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 247 · 247-251 °C(Solv: ethanol (64-17-5))
- Boiling point
- 398.8 · 398.8±42.0 °C(Predicted)
- Density
- 1.772 · 1.772±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 10.67 · 10.67±0.20(Predicted)
- form
- solid
- Appearance
- Light yellow to brown Solid
- InChI
- InChI=1S/C7H5BrN2O2/c8-4-1-5-7(9-2-4)12-3-6(11)10-5/h1-2H,3H2,(H,10,11)
- InChIKey
- UTPFXZJAASMEDW-UHFFFAOYSA-N
- SMILES
- O1CC(=O)NC2=CC(Br)=CN=C12
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
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, P317, 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%)
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses7-Bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one is an important chemical reagent that can be used to prepare heteroaryl compounds. The synthetic product can effectively inhibit necrosis and thus finds application in the treatment of diseases and conditions related to the necrosis pathway, including, for example, inflammation, tumors, metabolic diseases, and neurodegenerative diseases such as cerebral ischemia and stroke.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
荟达医药科技(上海)有限公司15173502222 · [email protected]
Related reactions
28 records
Compound notes
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