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| CAS No.: | 1245-13-2 |
|---|---|
| Name: | 2,2'-BICINCHONINIC ACID |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C20H12N2O4 |
| Molecular Weight: | 344.326 |
| Synonyms: | 2,2'-Bicinchoninicacid (6CI,7CI);2,2'-Dicinchoninic acid;4,4'-Dicarboxy-2,2'-biquinoline;Bicinchoninic acid;NSC 133815; |
| EINECS: | 214-990-9 |
| Density: | 1.468 g/cm3 |
| Melting Point: | 365°C(lit.) |
| Boiling Point: | 626.2 °C at 760 mmHg |
| Flash Point: | 332.5 °C |
| Risk Codes: | 36 |
| Safety: | 22-24/25-36-26 |
| PSA: | 100.38000 |
| LogP: | 3.84640 |
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Specification
This chemical is called [2,2'-Biquinoline]-4,4'-dicarboxylicacid, and it can also be named as 2,2'-Bicinchoninic acid. With the molecular formula of C20H12N2O4, its molecular weight is 344.32. The CAS registry number of this chemical is 1245-13-2, and its EINECS number is 214-990-9. Additionally, this chemical should be stored at the temperature of 2-8°C.
Other characteristics of the [2,2'-Biquinoline]-4,4'-dicarboxylicacid can be summarised as follows: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.59; (4)ACD/LogD (pH 7.4): -0.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 78.38 Å2; (13)Index of Refraction: 1.761; (14)Molar Refractivity: 96.57 cm3; (15)Molar Volume: 234.4 cm3; (16)Polarizability: 38.28×10-24 cm3; (17)Surface Tension: 79.8 dyne/cm; (18)Density: 1.468 g/cm3; (19)Flash Point: 332.5 °C; (20)Enthalpy of Vaporization: 97.44 kJ/mol; (21)Boiling Point: 626.2 °C at 760 mmHg; (22)Vapour Pressure: 1.51E-16 mmHg at 25°C.
Uses of this chemical: The [2,2']Biquinolinyl-4,4'-dicarboxylic acid dimethyl ester could be obtained by the reactants of [2,2'-Biquinoline]-4,4'-dicarboxylicacid and methanol. This reaction needs the reagent of H2SO4. The yield is 89 %. The other condition is heating.
![The [2,2']Biquinolinyl-4,4'-dicarboxylic acid dimethyl ester could be obtained by the reactants of [2,2'-Biquinoline]-4,4'-dicarboxylicacid and methanol.](/UserFilesUpload/Uses of [2,2'-Biquinoline]-4,4'-dicarboxylicacid.jpg)
When you are using this chemical, please be cautious about it as follows: This chemical is irritating to eyes. You should wear suitable protective clothing when you use it. Do not breathe dust. Avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1cc(nc2c1cccc2)c3nc4ccccc4c(c3)C(=O)O
2.InChI: InChI=1/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)
3.InChIKey: AFYNADDZULBEJA-UHFFFAOYAF