Methyl 5-bromo-2-hydroxyisonicotinate
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Basic information
- CAS
913836-17-6- Standard SMILES
COC(=O)c1cc(=O)[nH]cc1Br- InChIKey
XOMMLGBSSAVOET-UHFFFAOYSA-N- Molecular formula
- C7H6BrNO3
- Average molar mass
- 232.03 g/mol
- Monoisotopic mass
- 230.95311
Names & identifiers
- Preferred name
- Methyl 5-bromo-2-hydroxyisonicotinate
- IUPAC
- methyl 5-bromo-2-oxo-1H-pyridine-4-carboxylate
- English name
- 5-BROMO-4-METHOXYCARBONYL-2(1H)-PYRIDINONE
- Molecular formula
- C7H6BrNO3
- Molecular weight
- 232.03
Names & synonyms
METHYL 5-BROMO-2-HYDROXYISONICOTINATERefChem:816936685-572-5913836-17-6methyl 5-bromo-2-oxo-1,2-dihydropyridine-4-carboxylateMethyl 5-Bromo-2-hydroxypyridine-4-carboxylate5-Bromo-4-methoxycarbonyl-2(1H)-pyridinoneMFCD09027265methyl 5-bromo-2-oxo-1H-pyridine-4-carboxylateMethyl5-Bromo-2-HydroxyisonicotinateSCHEMBL2315360SCHEMBL15814434
Show more names
Methyl 5-bromo-2-hydroxyisonicotinate 98%METHYL 5-BROMO-2-HYDROXY-4-PYRIDINECARBOXYLATE5-BROMO-4-METHOXYCARBONYL-2(1H)-PYRIDINONE ISO 9001：2015 REACH5-Bromo-1,2-dihydro-2-oxo-pyridin-4-carboxylic acid methyl ester4-Pyridinecarboxylic acid, 5-broMo-1,2-dihydro-2-oxo-, Methyl ester
DTXSID00649554XOMMLGBSSAVOET-UHFFFAOYSA-NAKOS005256398AKOS015892096SB21271AC-27264DS-11194SY040832
Database identifiers
- CAS
913836-17-6- PubChem CID
- 25306972
- DTXSID
DTXSID00649554- EC Number
- 685-572-5
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 325.3 · 325.3±42.0 °C(Predicted)
- Density
- 1.737 · 1.737±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 8.96 · 8.96±0.10(Predicted)
- form
- solid
- color
- yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P280-P261
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933399990 · 2933399990
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P280-P261
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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