2,2'-Dipyridyl disulfide (HCID 65093)

Überblick

Aldrithiol is a member of the class of pyridines that is pyridine which is substituted by a pyridin-2-yldisulfanediyl group at position 2. It is a reagent used in molecular biology as an oxidizing agent. Also used in peptide synthesis and for detecting thiols. It has a role as an oxidising agent. It is a member of pyridines and an organic disulfide.

Namen und Bezeichner

Bevorzugter Name: 2,2'-Dipyridyl disulfide
IUPAC: 2-(pyridin-2-yldisulfanyl)pyridine
Lokaler Name: 2,2'-Dithiodipyridin
Englischer Name: 2,2'-Dithiodipyridine
Summenformel: C10H8N2S2
Molmasse: 220.31

Namen und Synonyme

2,2'-Dithiodipyridine2127-03-92,2'-Dipyridyl disulfide2-(pyridin-2-yldisulfanyl)pyridine2,2'-Dipyridyldisulfide2-Dipyridyl disulfide2PDS2,2'-DithiopyridinePyridine, 2,2'-dithiobis-L6X912UPBUorthopyridyl disulfideDTXSID70175517

Weitere Namen anzeigen

Aldrithiol2-PDSDithiodipyridine2-AldrithiolDipyridyldisulfide2-Pyridyl disulfide

2,2-dithiobispyridine2,2-PDSRefChem:440289DTXCID5098008218-343-11,2-di(pyridin-2-yl)disulfaneAldrithiol-2Aldrithiol 2

Datenbank-Bezeichner

CAS: 2127-03-9
PubChem CID: 65093
DTXSID: DTXSID70175517
ChEMBL: CHEMBL118678
ChEBI: CHEBI:143170
UNII: L6X912UPBU
EC Number: 218-343-1
Nikkaji: J39.097F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 76,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 148

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Pyridines

Solubility25.5 [ug/mL] (The mean of the results at pH 7.4)

Melting Point58 °C

Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 56 · 56-58 °C(lit.)
Siedepunkt: 356.1 · 356.1±17.0 °C(Predicted)
Dichte: 1.3078 · 1.3078 (rough estimate)
Brechungsindex: 1.55 · 1.5500 (estimate)
Flammpunkt: 210 °C · 210 °C
storage temp.: 2 · 2-8°C
Löslichkeit: 50 mg/mL, · methanol: soluble50mg/mL, clear to very slightly hazy, colorless to faintly brownish-yellow
Aggregatzustand: powder
pka: 1.52 · 1.52±0.19(Predicted)
Farbe: Clear colorless to yellow to tan
Wasserlöslichkeit: 5 g/L · 5 g/L (20 ºC)
BRN: 154629 · 154629
InChI: 1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H
InChIKey: HAXFWIACAGNFHA-UHFFFAOYSA-N
SMILES: S(Sc1ccccn1)c2ccccn2
LogP: 2.53 · 2.530 (est)
CAS Datenbank: 2127 · 2127-03-9(CAS DataBase Reference)
NIST chemische Informationen: 2 · Pyridine, 2,2'-dithiobis-(2127-03-9)
EPA chemische Informationen: 2 · Pyridine, 2,2'-dithiobis- (2127-03-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 1.5% (1 of 66) of reports.

Warning

H315 (98.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 66 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Pyridine, 2,2'-dithiobis-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (98.5%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Sicherheitsdaten

F: 10-23
wgk: 3
tsca: TSCA listed
ridadr: UN 3335
hs_code: 29333990
risk_code: 36/37/38-37-20/22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 36/37/39-37/39-25-22-36-26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Selbstentzündungstemperatur: 340 °C

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationElectron-accepting molecules in chemical reactions in which electrons are transferred from one molecule to another (OXIDATION-REDUCTION).

Verwendung und Herstellung

General Manufacturing InformationPyridine, 2,2'-dithiobis-: ACTIVE

Anwendungen

Verwenden2,2'-Dipyridyldisulfide, sometimes known as DPS, is used for preparing thiols and activating or protecting carboxylic acid with triphenylphosphine.