CAS 16098-21-8 3-Bromo-1-methyl-5-nitro-2(1H)-pyridinone (HCID 67267481)

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Basic information

CAS: 16098-21-8
Standard SMILES: Cn1cc([N+](=O)[O-])cc(Br)c1=O
InChIKey: TVMGAVXSPUAAJH-UHFFFAOYSA-N
Molecular formula: C6H5BrN2O3
Average molar mass: 233.02 g/mol
Monoisotopic mass: 231.94835412

Names & identifiers

Preferred name: 3-Bromo-1-methyl-5-nitro-2(1H)-pyridinone
IUPAC: 3-bromo-1-methyl-5-nitropyridin-2-one
English name: 3-Bromo-1-methyl-5-nitro-1H-pyridin-2-one
Molecular formula: C6H5BrN2O3
Molecular weight: 233.02

Names & synonyms

16098-21-83-Bromo-1-methyl-5-nitro-2(1H)-pyridinoneDTXSID0012732943-bromo-1-methyl-5-nitro-1,2-dihydropyridin-2-oneRefChem:498251DTXCID701703862896-754-03-Bromo-1-methyl-5-nitropyridin-2(1H)-one3-bromo-1-methyl-5-nitro-pyridin-2-one3-bromo-1-methyl-5-nitropyridin-2-oneMFCD279456223-Bromo-1-methyl-5-nitro-1H-pyridin-2-one

Show more names

3-bromo-1-methyl-5-nitropyridin-2(1H)-on

2(1H)-Pyridinone, 3-bromo-1-methyl-5-nitro-SCHEMBL2070905TVMGAVXSPUAAJH-UHFFFAOYSA-NRAA09821AKOS027456184SB13431DS-19107DB-204213

Database identifiers

CAS: 16098-21-8
PubChem CID: 67267481
DTXSID: DTXSID001273294
EC Number: 896-754-0

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 302

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933399990 · 2933399990

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.