Dipotassium [2,2'-biquinoline]-4,4'-dicarboxylate
Basic information
- CAS
63451-34-3- Standard SMILES
O=C([O-])c1cc(-c2cc(C(=O)[O-])c3ccccc3n2)nc2ccccc12.[K+].[K+]- InChIKey
WCYSOCFXPUNTJG-UHFFFAOYSA-L- Molecular formula
- C20H10K2N2O4
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 419.99146977
Names & identifiers
- Preferred name
- Dipotassium [2,2'-biquinoline]-4,4'-dicarboxylate
- IUPAC
- dipotassium;2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate
- English name
- 2,2'-Biquinoline-4,4'-dicarboxylic acid dipotassium salt trihydrate
- Molecular formula
- C20H13KN2O4
- Molecular weight
- 384.43
Names & synonyms
[2,2'-Biquinoline]-4,4'-dicarboxylic acid, dipotassium saltDIPOTASSIUM [2,2'-BIQUINOLINE]-4,4'-DICARBOXYLATEEINECS 264-196-1DTXSID3069851Dipotassium (2,2'-biquinoline)-4,4'-dicarboxylate(2,2'-Biquinoline)-4,4'-dicarboxylic acid, dipotassium salt(2,2'-Biquinoline)-4,4'-dicarboxylic acid, potassium salt (1:2)[2,2'-Biquinoline]-4,4'-dicarboxylic acid, potassium salt (1:2)RefChem:589015DTXCID70438732,2'Biquinoline4,4'dicarboxylic acid, dipotassium salt(2,2'Biquinoline)4,4'dicarboxylic acid, dipotassium salt
Show more names
2,2'-BIQUINOLINE-4,42,2'-Bicinchoninia acid dipotassium salt4,4'-DICARBOXY-2,2'-BIQUINOLINE, POTASSIUM SALTDipotassium 2,2'-biquinoline-4,4'-dicarboxylate4,4'-DICARBOXY-2,2'-BIQUINOLINE DIPOTASSIUM SALT2,2'-Bicinchoninic Acid Dipotassium Salt Hydrate2,2'-Bicinchoninic Acid Dipotassium Salt Hydrate
(2,2'Biquinoline)4,4'dicarboxylic acid, potassium salt (1:2)264-196-163451-34-3Potassium [2,2'-biquinoline]-4,4'-dicarboxylate2,2'-Bicinchoninic acid dipotassium saltMFCD000146642,2'-Biquinoline-4,4'-dicarboxylic Acid Dipotassium Saltdipotassium;2-(4-carboxylatoquinolin-2-yl)quinoline-4-carboxylate
Database identifiers
- CAS
63451-34-3- PubChem CID
- 113231
- DTXSID
DTXSID3069851- EC Number
- 264-196-1
- Nikkaji
- J208.084B
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 495
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quinolines
Physical DescriptionWhite powder; [Hach MSDS]
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- storage temp.
- RT, protect from light, stored under nitrogen
- solubility
- 10 mg/mL, · methanol: 10 mg/mL, clear
- form
- powder to crystal
- color
- White to Yellow to Orange
- InChI
- InChI=1S/C20H12N2O4.K.H/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;;/h1-10H,(H,23,24)(H,25,26);;
- InChIKey
- HTINLZIBDCJNNQ-UHFFFAOYSA-N
- SMILES
- C(C1=CC(C2=NC3=CC=CC=C3C(C(=O)O)=C2)=NC2=CC=CC=C12)(=O)O.[KH]
- EPA Substance Registry System
- 2 · [2,2'-Biquinoline]-4,4'-dicarboxylic acid, dipotassium salt (63451-34-3)
- Symbol(GHS)
- 7 · GHS07
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information[2,2'-Biquinoline]-4,4'-dicarboxylic acid, dipotassium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause eye and respiratory tract irritation; [Hach MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29334900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[2,2'-Biquinoline]-4,4'-dicarboxylic acid, potassium salt (1:2): ACTIVE
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Related reactions
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Compound notes
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