Basic information
- Standard SMILES
O=c1[nH]cc(Br)cc1[N+](=O)[O-]- InChIKey
WXRLCVUDLFFTFF-UHFFFAOYSA-N- Molecular formula
- C5H3BrN2O3
- Average molar mass
- 218.99 g/mol
- Monoisotopic mass
- 217.93270406
Names & identifiers
- Preferred name
- 5-Bromo-3-nitro-2-pyridone
- IUPAC
- 5-bromo-3-nitro-1H-pyridin-2-one
- English name
- 5-Bromo-3-nitro-2-pyridinol
- Molecular formula
- C5H3BrN2O3
- Molecular weight
- 218.99
Names & synonyms
15862-34-75-bromo-3-nitro-1H-pyridin-2-one5-Bromo-3-nitro-2(1H)-pyridinone5-Bromo-3-nitro-2-pyridone2(1H)-Pyridinone, 5-bromo-3-nitro-LAS8HHD2PXNSC-1705632-HYDROXY-3-NITRO-5-BROMOPYRIDINEEINECS 239-989-0DTXSID301664815-BROMO-3-NITROPYRIDIN-2-ONENSC 170563
Show more names
2-Hydroxy-5-Bromo-3-NitroPyridineB217BUTTPARK 43\57-805-Bromo-3-Nitropyridine-2-Ol5-BroMo-3-nitro-1H-pyridi...
RefChem:102164DTXCID9088972239-989-05-Bromo-2-hydroxy-3-nitropyridine5-bromo-3-nitropyridin-2-ol5-Bromo-3-nitro-2-pyridinol5-bromo-3-nitropyridin-2(1H)-oneMFCD00023473
Database identifiers
- CAS
15862-34-7- PubChem CID
- 85147
- DTXSID
DTXSID30166481- UNII
- LAS8HHD2PX
- EC Number
- 239-989-0
- Nikkaji
- J219.873H
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
- 246 · 246-250 °C
- Boiling point
- 296.7 · 296.7±40.0 °C(Predicted)
- Density
- 1.98 · 1.98±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO, Methanol
- pka
- 6.31 · 6.31±0.10(Predicted)
- form
- Solid
- color
- Yellow
- BRN
- 383853 · 383853
- InChI
- InChI=1S/C5H3BrN2O3/c6-3-1-4(8(10)11)5(9)7-2-3/h1-2H,(H,7,9)
- InChIKey
- WXRLCVUDLFFTFF-UHFFFAOYSA-N
- SMILES
- C1(=O)NC=C(Br)C=C1[N+]([O-])=O
- CAS DataBase Reference
- 15862 · 15862-34-7(CAS DataBase Reference)
- FDA UNII
- 8 HHD2PX · LAS8HHD2PX
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-37/38-41-36/37/38-20
- Safety Statements
- 26 · 26-36/37/39-36
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful
- HazardClass
- IRRITANT
- HS Code
- 29337900 · 29337900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (85.1%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29337900
- risk_code
- 22-37/38-41-36/37/38-20
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Harmful
- safety_code
- 26-36/37/39-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
Uses5-Bromo-3-nitropyridin-2(1H)-one is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Related reactions
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