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1,3'-bipyridinium, 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-, inner salt

HCID 110477
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
68532-86-5
Standard SMILES
Cc1cc(=O)[nH]c([O-])c1-[n+]1ccccc1
InChIKey
HYBSZKBDXBJNKG-UHFFFAOYSA-N
Molecular formula
C11H10N2O2
Average molar mass
202.21 g/mol
Monoisotopic mass
202.07422757

Names & identifiers

Preferred name
1,3'-bipyridinium, 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-, inner salt
IUPAC
4-methyl-6-oxo-3-pyridin-1-ium-1-yl-1H-pyridin-2-olate
English name
1',2'-dihydro-4'-methyl-6'-oxido-2'-oxo-1,3'-bipyridinium
Molecular formula
C11H11N2O2+
Molecular weight
203.21724

Names & synonyms

68532-86-5EINECS 271-295-31,3'-Bipyridinium, 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-, inner saltDTXSID0071623RefChem:72169DTXCID70460931',2'-Dihydro-4'-methyl-6'-oxido-2'-oxo-1,3'-bipyridiniumLK29BG7YS4HYBSZKBDXBJNKG-UHFFFAOYSA-NNS001218266-Hydroxy-4-methyl-3-(pyridin-1-ium-1-yl)pyridin-2-olate1',2'-Dihydro-4'-methyl-2'-oxo-6'-oxylato-1,3'-bipyridin-1-ium

Database identifiers

CAS
68532-86-5
PubChem CID
110477
DTXSID
DTXSID0071623
UNII
LK29BG7YS4
EC Number
271-295-3
Nikkaji
J309.227E

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
56 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
338

Physicochemical properties

EPA Substance Registry System
1 · 1,3'-Bipyridinium, 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-, inner salt (68532-86-5)
TSCA
TSCA listed
REACH Registrations
Active

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 · 3 items

This chemical does not meet GHS hazard criteria for 100% (8 of 8) of all reports.

Not Classified

Aggregated GHS information provided per 8 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationREACH registered substance: 1',2'-dihydro-4'-methyl-6'-oxido-2'-oxo-1,3'-bipyridinium (EC: 271-295-3)
Hazard Classes and CategoriesNot Classified

Safety data

tsca
TSCA listed
REACH Registrations
Active

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,3'-Bipyridinium, 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-, inner salt: INACTIVE

Suppliers1 total

XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes