5,5-二硫代双(2-硝基苯甲酸)

Description

5,5-Dithiobis(2-nitrobenzoic acid) · CAS 69-78-3 · C14H8N2O8S2. UNII 9BZQ3U62JX.

Identification

CAS Registry Number	69-78-3
PubChem CID	6254
Molecular formula	C14H8N2O8S2
IUPAC name	5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
UNII (FDA)	9BZQ3U62JX

Computed Descriptors

Molecular Weight	396.4
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	395.97220756
Monoisotopic Mass	395.97220756
Topological Polar Surface Area	217
Heavy Atom Count	26
Formal Charge	0

Physical description & handling notes

• Yellow solid; [Merck Index] Light yellow powder; [Sigma-Aldrich MSDS]

GHS Hazard Classification

Reported hazard statements	H315 (100%), H319 (100%), H335 (98.1%)

Documented Uses

• Used as an indicator of thiols, cholinesterase, and other enzymes; [Merck Index]
• Benzoic acid, 3,3'-dithiobis[6-nitro-: ACTIVE
• Chemical agents that react with SH groups. This is a chemically diverse group that is used for a variety of purposes. Among these are enzyme inhibition, enzyme reactivation or protection, and labelling.

Synonyms

69-78-3; DTNB; 5,5'-Dithiobis(2-nitrobenzoic acid); Ellman's Reagent; Dithionitrobenzoic acid; Benzoic acid, 3,3'-dithiobis[6-nitro-; Dithiobisnitrobenzoic acid; 3,3'-Dithiobis(6-nitrobenzoic acid); Ellmans reagent; Ellman Reagent; 2,2'-Dinitro-5,5'-dithiodibenzoic acid; 2,2'-Dinitro-5,5'-dithiodibenzoesaeure; 9BZQ3U62JX; DTXSID5058779; BENZOIC ACID, 3,3'-DITHIOBIS(6-NITRO-; BA-2767

Frequently Asked Questions

What are the CAS number and molecular formula of 5,5-Dithiobis(2-nitrobenzoic acid)?

CAS 69-78-3; molecular formula C14H8N2O8S2; molecular weight — g/mol.

What other names is 5,5-Dithiobis(2-nitrobenzoic acid) known by?

69-78-3, DTNB, 5,5'-Dithiobis(2-nitrobenzoic acid), Ellman's Reagent, Dithionitrobenzoic acid, Benzoic acid, 3,3'-dithiobis[6-nitro-.

Is 5,5-Dithiobis(2-nitrobenzoic acid) classified as hazardous?

Hazard statements reported: H315, H319, H335.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.