Basic information
- CAS
1245-13-2- Standard SMILES
O=C(O)c1cc(-c2cc(C(=O)O)c3ccccc3n2)nc2ccccc12- InChIKey
AFYNADDZULBEJA-UHFFFAOYSA-N- Molecular formula
- C20H12N2O4
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 344.07970687
Names & identifiers
- Preferred name
- Bicinchoninic acid
- IUPAC
- 2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid
- English name
- 2,2'-Bicinchoninic Acid
- Molecular formula
- C20H12N2O4
- Molecular weight
- 344.32
Names & synonyms
Show more names
Database identifiers
- CAS
1245-13-2- PubChem CID
- 71068
- DTXSID
DTXSID8061638- ChEMBL
CHEMBL431482- UNII
- CX56TX9Y1I
- EC Number
- 214-990-9
- Nikkaji
- J217.077I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 506
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 365 °C · 365°C(lit.)
- Boiling point
- 626.2 · 626.2±55.0 °C(Predicted)
- Density
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 1.77 · 1.77±0.10(Predicted)
- color
- Light yellow to Yellow to Orange
- BRN
- 321561 · 321561
- InChI
- InChI=1S/C20H12N2O4/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
- AFYNADDZULBEJA-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=CC=2)C(C(O)=O)=CC=1C1C=C(C(O)=O)C2C(N=1)=CC=CC=2
- CAS DataBase Reference
- 1245 · 1245-13-2(CAS DataBase Reference)
- FDA UNII
- 56 TX9Y1I · CX56TX9Y1I
- EPA Substance Registry System
- 2 · [2,2'-Biquinoline]-4,4'-dicarboxylic acid (1245-13-2)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225
- Precautionary statements
- 210 · P210-P403+P235
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Risk Statements
- 36 · 36
- Safety Statements
- 22 · 22-24/25-36-26
- WGK Germany
- 3 · 3
- F
- 8 · 8-10
- TSCA
- TSCA listed
- HS Code
- 29334900 · 29334900
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Hazard information
Regulatory information
Safety data
- F
- 8-10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29334900
- risk_code
- 36
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- safety_code
- 22-24/25-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H225
- Precautionary statements
- P210-P403+P235
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Uses & manufacturing
Applications
Uses2,2′-Biquinoline-4,4′-dicarboxylic acid has been used in a study that synthesized and structurally characterized six metal-organic coordination polymers.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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