69-78-3
Product Name:
5,5′-Dithiobis(2-nitrobenzoic acid)
Formula:
C14H8N2O8S2
Synonyms:
DTNB;Ellman’s Reagent;DTNB, Ellman’s Reagent;3-Carboxy-4-nitrophenyl disulfide;5,5?-Dithio-bis-(2-nitrobenzoic Acid) - CAS 69-78-3 - Calbiochem
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow solid; [Merck Index] Light yellow powder; [Sigma-Aldrich MSDS] |
|---|---|
| Chemical Classes | Dyes -> Indicator Dyes |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 396.4 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Exact Mass | 395.97220756 g/mol |
| Monoisotopic Mass | 395.97220756 g/mol |
| Topological Polar Surface Area | 217 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 528 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Dithionitrobenzoic acid is an organic disulfide that results from the formal oxidative dimerisation of 2-nitro-5-thiobenzoic acid. An indicator used to quantify the number or concentration of thiol groups. It has a role as an indicator. It is a nitrobenzoic acid and an organic disulfide.