Basic information
- CAS
15862-33-6- Standard SMILES
O=c1[nH]cc([N+](=O)[O-])cc1Br- InChIKey
KWSOHRDMTWDAOI-UHFFFAOYSA-N- Molecular formula
- C5H3BrN2O3
- Average molar mass
- 218.99 g/mol
- Monoisotopic mass
- 217.9327
Names & identifiers
- Preferred name
- 3-Bromo-2-hydroxy-5-nitropyridine
- IUPAC
- 3-bromo-5-nitro-1H-pyridin-2-one
- English name
- 3-Bromo-2-hydroxy-5-nitropyridine
- Molecular formula
- C5H3BrN2O3
- Molecular weight
- 218.99
Names & synonyms
3-Bromo-2-hydroxy-5-nitropyridine15862-33-63-BROMO-5-NITRO-2(1H)-PYRIDINONEDTXSID40346570RefChem:498468DTXCID70297642640-197-63-bromo-5-nitropyridin-2-ol3-Bromo-5-nitro-1H-pyridin-2-one2-HYDROXY-3-BROMO-5-NITROPYRIDINEMFCD038404312(1H)-Pyridinone, 3-bromo-5-nitro-
Show more names
2-Hydroxy-5-nitro-3-bromopyridine3-Bromo-5-nitro-2-pyridonePyridin-2-ol, 3-bromo-5-nitro-3-Bromo-5-nitro-2-hydroxypyridine3-BroMo-2-hydroxyY-5-nitropyridine
3-Bromo-5-nitro-2-pyridinolCS-D0770AC-8290PS-3646SMR0001716253-bromo-5-nitro-1,2-dihydropyridin-2-oneEN300-1054003-bromo-5-nitro-pyridin-2-ol
Database identifiers
- CAS
15862-33-6- PubChem CID
- 613279
- DTXSID
DTXSID40346570- ChEMBL
CHEMBL1478899- EC Number
- 640-197-6
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 213 · 213-218℃
- Boiling point
- 300.9 · 300.9±42.0 °C(Predicted)
- Density
- 1.98 · 1.98±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 6.58 · 6.58±0.10(Predicted)
- form
- Solid
- color
- White to Light yellow
- InChI
- InChI=1S/C5H3BrN2O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2H,(H,7,9)
- InChIKey
- KWSOHRDMTWDAOI-UHFFFAOYSA-N
- SMILES
- C1(=O)NC=C([N+]([O-])=O)C=C1Br
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H318-H335
- Precautionary statements
- 280 · P280-P301+P310+P330-P302+P352-P305+P351+P338+P310
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
H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (95%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933399990
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-39
- hazard_class
- IRRITANT, KEEP COLD
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H318-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Uses3-Bromo-2-hydroxy-5-nitropyridine is used widely in fields such as medicine, agricultural chemicals and organic syntheses.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
阜新奥瑞凯精细化工有限公司0418-5113999 18740177324 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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