Basic information
- CAS
1211539-13-7- Standard SMILES
Clc1nc2ncc(Br)cc2o1- InChIKey
CEGCWRUMZAVLHG-UHFFFAOYSA-N- Molecular formula
- C6H2BrClN2O
- Average molar mass
- 233.45 g/mol
- Monoisotopic mass
- 231.9039
Names & identifiers
- Preferred name
- 6-Bromo-2-chloro-[1,3]oxazolo[4,5-b]pyridine
- IUPAC
- 6-bromo-2-chloro-[1,3]oxazolo[4,5-b]pyridine
- English name
- 6-bromo-2-chlorooxazolo[4,5-b]pyridine
- Molecular formula
- C6H2BrClN2O
- Molecular weight
- 233.45
Names & synonyms
1211539-13-76-bromo-2-chloro-[1,3]oxazolo[4,5-b]pyridine6-bromo-2-chloro-(1,3)oxazolo(4,5-b)pyridineRefChem:540689966-997-8EN300-67775466-bromo-2-chlorooxazolo[4,5-b]pyridineOxazolo[4,5-b]pyridine, 6-bromo-2-chloro-
Database identifiers
- CAS
1211539-13-7- PubChem CID
- 84697178
- EC Number
- 966-997-8
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 259.2 · 259.2±20.0 °C(Predicted)
- Density
- 1.93 · 1.930±0.06 g/cm3(Predicted)
- pka
- -3.73 · -3.73±0.50(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
Suppliers2 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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