2,2'-ジピリジルジスルフィド
2,2'-Dipyridyl disulfide
基本情報
- CAS
2127-03-9- 標準SMILES
c1ccc(SSc2ccccn2)nc1- InChIKey
HAXFWIACAGNFHA-UHFFFAOYSA-N- 分子式
- C10H8N2S2
- 平均分子量
- 220.3 g/mol
- 単同位体質量
- 220.01289026
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
物性
構造計算による物性
- XLogP
- 2.6
- 極性表面積
- 76.4 Ų
- 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
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
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)
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
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
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