CAS 228410-90-0 5-Bromo-2-hydroxy-4-methyl-3-nitropyridine (HCID 21706517)

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Basic information

CAS: 228410-90-0
Standard SMILES: Cc1c(Br)c[nH]c(=O)c1[N+](=O)[O-]
InChIKey: QXPNHVCGSASGIX-UHFFFAOYSA-N
Molecular formula: C6H5BrN2O3
Average molar mass: 233.02 g/mol
Monoisotopic mass: 231.94835412

Names & identifiers

Preferred name: 5-Bromo-2-hydroxy-4-methyl-3-nitropyridine
IUPAC: 5-bromo-4-methyl-3-nitro-1H-pyridin-2-one
English name: 5-Bromo-2-hydroxy-3-nitro-4-picoline
Molecular formula: C6H5BrN2O3
Molecular weight: 233.02

Names & synonyms

5-Bromo-2-hydroxy-4-methyl-3-nitropyridineRefChem:533236687-931-1228410-90-05-Bromo-2-hydroxy-3-nitro-4-picoline5-Bromo-4-methyl-3-nitropyridin-2(1H)-one5-bromo-4-methyl-3-nitropyridin-2-ol5-BROMO-4-METHYL-3-NITRO-2(1H)-PYRIDINONE5-bromo-4-methyl-3-nitro-1H-pyridin-2-oneMFCD066595205-bromo-4-methyl-3-nitro-pyridin-2-olDTXSID20617174

Show more names

2-Hydroxy-3-Nitro-5-Bromo-4-Picoline5-BROMO-2-HYDROXY-3-NITRO-4-PICOLINE-3A5-Bromo-4-methyl-3-nitro-2-hydroxypyridine2-Hydroxy-3-nitro-4-methyl-5-bromopyridine

CS-M1657SB52265DS-17475MFCD22123538SCHEMBL1366268SCHEMBL3649106AMY2868SBB065516

Database identifiers

CAS: 228410-90-0
PubChem CID: 21706517
DTXSID: DTXSID20617174
EC Number: 687-931-1

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 313

Physicochemical properties

Melting point: 240 · 240-243
Boiling point: 298.2 · 298.2±40.0 °C(Predicted)
Density: 1.84 · 1.84±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 6.34 · 6.34±0.10(Predicted)
color: yellow
InChI: InChI=1S/C6H5BrN2O3/c1-3-4(7)2-8-6(10)5(3)9(11)12/h2H,1H3,(H,8,10)
InChIKey: QXPNHVCGSASGIX-UHFFFAOYSA-N
SMILES: C1(=O)NC=C(Br)C(C)=C1[N+]([O-])=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Hazard Note: Harmful/Irritant/Keep Cold

Safety & regulation

GHS classification

GHS Classification · 4 items

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, P317, 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.