5′-dithio-bis(nitrobenzoic acid) – Amine Catalysts https://www.newtopchem.com The Leading Supplier of China Amine Catalysts Wed, 24 Apr 2024 06:03:26 +0000 zh-CN hourly 1 https://wordpress.org/?v=6.1.7 https://www.newtopchem.com/wp-content/uploads/2023/12/1.jpg 5′-dithio-bis(nitrobenzoic acid) – Amine Catalysts https://www.newtopchem.com 32 32 5,5′-dithio-bis(nitrobenzoic acid) https://www.newtopchem.com/archives/47925 Wed, 24 Apr 2024 06:03:26 +0000 http://www.newtopchem.com/archives/47925 5,5'-dithio-bis(nitrobenzoic acid) structural formula

Structural formula

Business number 01FT
Molecular formula C14H8N2O8S2
Molecular weight 396.35
label

5,5’dithiobis(2-nitrobenzoic acid),

6,6′-dinitro-3,3′-dithiobenzoic acid,

3-Carboxy-4-nitrophenyl disulfide,

6,6′-Dinitro-3,3′-dithiodibenzoic acid,

Bis(3-carboxy-4-nitrophenyl)disulfide,

DTNB,

Ellman’s Reagent,

[-SC6H3(NO2)CO2H]2,

Enzymes·Proteins·Peptides

Numbering system

CAS number:69-78-3

MDL number:MFCD00007140

EINECS number:200-714-4

RTECS number:DG9650000

BRN number:1896821

PubChem number:24894189

Physical property data

1. Character:Off-white or yellow powder.
2. Density (g/mL,25/4℃): Unsure

3. Relative vapor density (g/mL ,Air=1): Unsure


4. Melting point (ºC):240-245 (dec.)(lit.)


5. Boiling point (ºC,Normal pressure): Uncertain


6. Boiling point (ºC, 5.2kPa): Unsure


7. Refractive index:Not sure


8. Flash point (ºC): Unsure


9. Specific optical rotation (º): Unsure


10. Autoignition point or ignition temperature (ºC): Unsure


11. Vapor pressure (kPa,25ºC): Unsure


12. Saturated vapor pressure (kPa,60ºC): Unsure


13. Heat of combustion (KJ/mol): Unsure


14. Critical temperature (ºC): Unsure


15. Critical pressure (KPa): Unsure


16. Oil and water (octanol/Log value of water) partition coefficient: Uncertain


17. Explosion limit (%,V/V): Unsure


18. Lower explosion limit (%,V/V): Unsure


19. Solubility: Slightly soluble in acetic acid and water .

Toxicological data

Acute toxicity: mouse abdominal LD50: 2080 mg/kg;

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.7

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 10

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 217

7. Number of heavy atoms: 26

8. Surface charge: 0

9. Complexity: 528

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

None

Purpose

For biochemical research. Determination of thiol groups. Monitoring of organophosphorus pesticide poisoning (cholinesterase assay)  

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