2-Nitrobenzenesulfenyl chloride (HCID 24319)

概要

structure

名称と識別子

優先名称: 2-Nitrobenzenesulfenyl chloride
IUPAC: (2-nitrophenyl) thiohypochlorite
現地名: 2-ニトロフェニルスルフェニルクロリド
英語名: 2-Nitrobenzenesulfenyl chloride
分子式: C6H4ClNO2S
分子量: 189.62

名称と別名

2-Nitrobenzenesulfenyl chloride7669-54-7Benzenesulfenyl chloride, 2-nitro-2-nitrophenylsulphenyl chlorideDTXSID4064765NPS-ClRefChem:477192DTXCID9047912231-644-22-Nitrophenylsulfenyl chlorideo-Nitrobenzenesulfenyl chloride2-nitrophenyl hypochlorothioite

名称をさらに表示

2-ニトロフェニルスルフェニルクロリド2-ニトロフェニルクロロスルフィドNPS試薬o-ニトロフェニルスルフェニルクロリド1-(クロロチオ)-2-ニトロベンゼン(2-ニトロフェニルチオ)クロリド2-ニトロベンゼンスルフェン酸クロリド2-ニトロベンゼンスルフェニルクロリド1-ニトロ-2-(クロロチオ)ベンゼンo-ニトロベンゼンスルフェニルクロリド2-ニトロフェニルチオクロリド塩化2-ニトロベンゼンスルフェニル2‐ニトロベンゼンスルフェニルクロリド[(2-ニトロフェニル)スルファニル]クロランNBSC2-Nitrophenylchloro sulfide(2-Nitrophenylthio) chloride1-Nitro-2-(chlorothio)benzene2-nitro-benzenesulfenylchlorid

O-NITROPHENYLSULFENYL CHLORIDE(2-nitrophenyl) thiohypochloriteMFCD00007128Benzenesulfenyl chloride, o-nitro-o-Nitrophenylsulphenyl chlorideo-Nitrobenzenesulphenyl chloridechloro(2-nitrophenyl)thioNPS Reagent

データベース識別子

CAS: 7669-54-7
PubChem CID: 24319
DTXSID: DTXSID4064765
EC Number: 231-644-2
Nikkaji: J248H

物性

構造計算による物性

XLogP: 2.6
極性表面積: 71.1 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 150

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials PropertiesSchoenflies notation

Physical DescriptionYellow crystalline powder; [Alfa Aesar MSDS]

物理化学的性質

融点: 70 · 70-75 °C
沸点: 350 · 350.0±25.0 °C(Predicted)
比重(密度): 1.492 · 1.492 (estimate)
屈折率: 1.6 · 1.6000 (estimate)
貯蔵温度: 2 · 2-8°C
外見: 結晶性粉末または針
色: 黄色から金色
水溶解度: 分解する
BRN: 473741 · 473741
InChI: InChI=1S/C6H4ClNO2S/c7-11-6-4-2-1-3-5(6)8(9)10/h1-4H
InChIKey: NTNKNFHIAFDCSJ-UHFFFAOYSA-N
SMILES: C1(SCl)=CC=CC=C1[N+]([O-])=O
CAS データベース: 7669 · 7669-54-7(CAS DataBase Reference)
EPAの化学物質情報: 2 · Benzenesulfenyl chloride, 2-nitro- (7669-54-7)

化学的性質

化学的特性yellow to gold crystalline powder or needles

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21383

Hazards SummaryReacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See 2-Nitrobenzenesulfonyl chloride.

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

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

tsca: TSCA listed
ridadr: 3261
hs_code: 29309090
risk_code: 34
hazard_code: C
safety_code: 36/39-45-36/37/39-26
hazard_class: 8
packing_group: II

化学と産業

用途と製造

General Manufacturing InformationBenzenesulfenyl chloride, 2-nitro-: INACTIVE

応用分野

使用2-Nitrobenzenesulfenyl Chloride is used in the synthesis of α-amino phosphonic acids

調製方法 · 2 件

製造方法CAUTION: This chloride is explosive, and the solvent has to be removed under reduced pressure. To a 500-ml, three-necked flask equipped with a mechanical stirrer, thermometer, gas addition tube, and condenser is added 200 ml of dry carbon tetrachloride, 30 gm (0.1 mole) of 2,2'-dinitrophenyl disulfide, and 0.05 gm of iodine as a catalyst. The suspension is heated to 50-60°C, and chlorine gas is added at such a flow rate that 10 gm (0.14 mole) is added over a 2-2^-hr period at this temperature. After this time, the solid starting disulfide finally goes into solution, and the warm dark yellow solution is filtered. The solution is cooled to 5°C, and the product that crystallizes out is filtered and dried to afford 25.2-27.0 gm (66-71%), m.p. 73-74.5°C.

純化方法Recrystallise it from CCl4 (2mL/g), filter off the solution at 5o (recovery 75%). It has also been recrystallised from pet ether (b 40-60o), dried rapidly at 50o and stored in a brown glass bottle, sealed well and stored away from moisture. [Hubacher Org Synth Coll Vol II 455 1943, Ito et al. Chem Pharm Bull Jpn 26 296 1978, Beilstein 6 I 157.]