3-ニトロ-2-ピリジンスルフェニルクロリド

3-Nitro-2-pyridinesulfenyl

HCID 129283

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 68206-45-1
標準SMILES: O=[N+]([O-])c1cccnc1SCl
InChIKey: WTKQMHWYSBWUBE-UHFFFAOYSA-N
分子式: C5H3ClN2O2S
平均分子量: 190.61 g/mol
単同位体質量: 189.9603762

名称と識別子

優先名称: 3-Nitro-2-pyridinesulfenyl
IUPAC: (3-nitro-2-pyridinyl) thiohypochlorite
現地名: 3-ニトロ-2-ピリジンスルフェニルクロリド
英語名: 3-Nitro-2-pyridinesulfenyl chloride
分子式: C5H3ClN2O2S
分子量: 190.61

名称と別名

3-Nitro-2-pyridinesulfenyl chloride68206-45-1Npys3-Nitro-2-pyridinesulfenylNpys-ClDTXSID70218377RefChem:504419DTXCID90140868625-611-53-nitro-2-pyridinesulfenylchloride(3-nitropyridin-2-yl) thiohypochloritePyridine, 2-chlorothio-3-nitro-

名称をさらに表示

3-ニトロ-2-ピリジンスルフェニルクロリド3-ニトロピリジン-2-スルフェニルクロリド2-(クロロチオ)-3-ニトロピリジン3-ニトロ-2-ピリジルチオクロリド[(3-ニトロピリジン-2-イル)スルファニル]クロランOxytocinImpurity163-Nitropyridin-2-yl hypochlorothioite2-Pyridinesulfenyl chloride, 3-nitro-(3-nitropyridin-2-yl)sulfanyl]chlorane3-Nitro-2-pyridinesulfenyl chloride 95%

2-(chlorosulfanyl)-3-nitropyridineMFCD00274609[(3-NITROPYRIDIN-2-YL)SULFANYL]CHLORANESCHEMBL795882chloro(3-nitro(2-pyridyl))thionitro-2-pyridinesulfenyl chlorideAKOS0158983843-Nitro-2-pyridinesulfenyl chloride #

データベース識別子

CAS: 68206-45-1
PubChem CID: 129283
DTXSID: DTXSID70218377
EC Number: 625-611-5
Nikkaji: J1.246.535A

物性

構造計算による物性

XLogP: 1.9
極性表面積: 84 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: 0
重原子数: 11
形式電荷: 0
複雑度: 152

物理化学的性質

融点: 205 °C · 205 °C (dec.) (lit.)
沸点: 376.8 · 376.8±27.0 °C(Predicted)
比重(密度): 1.58 · 1.58±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: ジクロロメタン: 可溶(lit.)
酸解離定数(Pka): -3.72 · -3.72±0.29(Predicted)
InChI: 1S/C5H3ClN2O2S/c6-11-5-4(8(9)10)2-1-3-7-5/h1-3H
InChIKey: WTKQMHWYSBWUBE-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cccnc1SCl

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (100%)

安全データ

wgk: 3
ridadr: UN 3261 8/PG 2
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野

使用3-Nitro-2-pyridinesulfenyl chloride (NpysCl) was employed as the starting material for the synthesis of N-, O- and S-Npys-protected amino acid.

一般的な説明The 3-nitro-2-pyridinesulphenyl (Npys) moiety is useful as a protecting-activating group for cysteine, particularly in the synthesis of cyclic and unsymmetrical disulfides. The stability of NpysCl was studied in various solvents.

調製方法 · 2 件

製造方法3-Nitro-2-pyridinesulfenyl chloride may be prepared by chlorination of bis(3-nitro-2-pyridyl) disulfide with gaseous chlorine.

純化方法The chloride crystallises as yellow needles from CH2Cl2. When pure, it is stable for several weeks at room temperature, and no decomposition was observed after 6 months at <0o. It is moisture sensitive. UV (MeCN) has at 231nm max ( 12,988), 264nm ( 5,784) and 372nm ( 3,117). [NMR and UV: Matsuda & Aiba Chem Lett 951 1978, Wagner et al. Chem Ber 75 935 1942.]