3,5-Dibromopyridine N-oxide
Basic information
- CAS
2402-99-5- Standard SMILES
[O-][n+]1cc(Br)cc(Br)c1- InChIKey
QBUQQUOGXPOBAQ-UHFFFAOYSA-N- Molecular formula
- C5H3Br2NO
- Average molar mass
- 252.89 g/mol
- Monoisotopic mass
- 250.85814
Names & identifiers
- Preferred name
- 3,5-Dibromopyridine N-oxide
- IUPAC
- 3,5-dibromo-1-oxidopyridin-1-ium
- English name
- 3,5-Dibromopyridine 1-oxide
- Molecular formula
- C5H3Br2NO
- Molecular weight
- 252.89
Names & synonyms
3,5-DIBROMOPYRIDINE N-OXIDERefChem:486668661-328-32402-99-53,5-Dibromopyridine 1-oxide3,5-Dibromopyridine-N-oxide3,5-DIBROMOPYRIDINE1-OXIDE3,5-dibromo-1-oxidopyridin-1-iumPyridine, 3,5-dibromo-,1-oxideMFCD001607503,5-Dibromopyridine-1-oxideSCHEMBL417479
Show more names
AURORA KA-30053,5-DibromopyridineN-Oxide>Pyridine, 3,5-dibromo-,1-oxide3,5-Dibromopyridine-N-oxide,97%3,5-dibroMo-1$l^{5}-pyridin-1-one3,5-DibromopyridineN-oxide≥ 98% (GC)
D4326AC-907/300020403,5-dibromopyridin-1-ium-1-olateAMY273553,5-dibromopyridin-1-ol3,5-dibromopyridine- N-A817049SCHEMBL20554276
Database identifiers
- CAS
2402-99-5- PubChem CID
- 620003
- DTXSID
DTXSID90347315- EC Number
- 661-328-3
- Nikkaji
- J80.475D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 91
Physicochemical properties
- Melting point
- 134 · 134-144 °C
- Boiling point
- 387.1 · 387.1±22.0 °C(Predicted)
- Density
- 2.15 · 2.15±0.1 g/cm3(Predicted)
- storage temp.
- Room temperature.
- pka
- -0.72 · -0.72±0.10(Predicted)
- form
- Crystalline Powder
- color
- Off-white to beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-20/21/22-36/38
- Safety Statements
- 36 · 36/37/39-26-22-36
- HS Code
- 29333990 · 29333990
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
Danger
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- hs_code
- 29333990
- risk_code
- 36/37/38-20/21/22-36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39-26-22-36
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
10 records
Compound notes
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