2,2'-Dipyridyl disulfide (HCID 65093)

概要

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.

名称と識別子

優先名称: 2,2'-Dipyridyl disulfide
IUPAC: 2-(pyridin-2-yldisulfanyl)pyridine
現地名: 2,2'-ジピリジルジスルフィド
英語名: 2,2'-Dithiodipyridine
分子式: C10H8N2S2
分子量: 220.31

名称と別名

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

名称をさらに表示

2,2'-ジピリジルジスルフィド2,2'-ジチオビス(ピリジン)ビス(2-ピリジル)ペルスルフィドビス(2-ピリジル)ジスルフィド2,2'-ジチオビスピリジンビス(2-ピリジニル)ペルスルフィドジ(2-ピリジニル)ペルスルフィドジチオジピリジンジ(2-ピリジル)ペルスルフィドアルドリチオール2アルドリチオール2,2'-ジチオジピリジン2,2'-ジピリジルジスルフィド2,2′-ジチオジピリジン2,2′‐ジチオジピリジン2,2'-ジピリジニルジスルフィド2,2'-ジピリジルジスルフィド>98%2,2'-ジピリジルジスルフィド, 98%2-(ピリジン-2-イルジスルファニル)ピリジンビス(2-ピリジニル)ペルジスルフィドAldrithiol2-PDSDithiodipyridine2-AldrithiolDipyridyldisulfide2-Pyridyl disulfide

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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.6
極性表面積: 76.4 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 14
形式電荷: 0
複雑度: 148

実験および物理化学的性質

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]

物理化学的性質

融点: 56 · 56-58 °C(lit.)
沸点: 356.1 · 356.1±17.0 °C(Predicted)
比重(密度): 1.3078 · 1.3078 (rough estimate)
屈折率: 1.55 · 1.5500 (estimate)
闪点: 210 °C · 210 °C
貯蔵温度: 2 · 2-8°C
溶解性: 50 mg/mL、透明～ごくわずかに濁った、無色～微黄褐色 · メタノール：可溶 50mg/mL、透明～ごくわずかに濁った、無色～微黄褐色
外見: 粉
酸解離定数(Pka): 1.52 · 1.52±0.19(Predicted)
色: 無色透明～黄色～黄褐色
水溶解度: 5 g/L · 5g/L(20℃)
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 データベース: 2127 · 2127-03-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · Pyridine, 2,2'-dithiobis-(2127-03-9)
EPAの化学物質情報: 2 · Pyridine, 2,2'-dithiobis- (2127-03-9)

化学的性質

化学的特性white to yellowish crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

安全データ

F: 10-23
wgk: 3
tsca: TSCA listed
ridadr: UN 3335
hs_code: 29333990
risk_code: 36/37/38-37-20/22
化審法: (5)-730
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 36/37/39-37/39-25-22-36-26
自然発火温度: 340 °C
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

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

用途と製造

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

応用分野

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

一般的な説明2,2'-Dithiodipyridine is a nucleocapsid zinc finger targeting compound and can abrogate the infectivity of human immunodeficiency virus type-1 virions. It is a thiol reagent.

調製方法 · 1 件

純化方法Recrystallise the disulfide H2O from *C6H6/pet ether (6:7), ligroin or *C6H6. The picrate has m 119o (from EtOH). [Walter et al. Justus Liebigs Ann Chem 695 7785 1966, Marckwald et al. Chem Ber 33 1556 1900, Brocklehurst & Little Biochem J 133 67,78 1973, Beilstein 21 III/IV 48.] It has been used as a 1mM solution in EtOH for the spectrophotometric estimation of thiols. Essentially the thiol displaces half the disulfide molecule liberating the 2-mercaptopyridine anion, thereby shifting the from 340nm (of the disulfide) to 268nm (of the anion) at pH 9, or 278nm in H2O. (Compare