4-Nitrobenzenesulfenyl chloride

HCID 4425599CAS 937-32-6

基本情報

標準SMILES: O=[N+]([O-])c1ccc(SCl)cc1
InChIKey: NCBOVAWEMBIIFK-UHFFFAOYSA-N
分子式: C6H4ClNO2S
平均分子量: 189.62 g/mol
単同位体質量: 188.96512705

名称と識別子

優先名称: 4-Nitrobenzenesulfenyl chloride
IUPAC: (4-nitrophenyl) thiohypochlorite
英語名: 4-Nitrobenzenesulfenyl chloride
分子式: C6H4ClNO2S
分子量: 189.62

名称と別名

4-Nitrobenzenesulfenyl chloride937-32-6DTXSID00403158RefChem:525924DTXCID20354012628-387-7(4-nitrophenyl) thiohypochloriteBenzenesulfenyl chloride, 4-nitro-[(4-NITROPHENYL)SULFANYL]CHLORANEchloro(4-nitrophenyl)thiop-nitrophenylsulfenyl chlorideSCHEMBL856512

名称をさらに表示

4-NITROBENZENESULFENYL CHLORIDE, TECH., CA. 95%4-NITROBENZENESULFENYL CHLORIDE ISO 9001：2015 REACH4-Nitrobenzenesulfenyl chloride technical grade, 95%

4-nitrophenyl hypochlorothioite4-nitrobenzene sulfenyl chlorideSCHEMBL107693471-(chlorosulfanyl)-4-nitrobenzeneAKOS009157089DB-057426ST51038142EN300-50218

データベース識別子

CAS: 937-32-6
PubChem CID: 4425599
DTXSID: DTXSID00403158
EC Number: 628-387-7
Nikkaji: J28.461K

物性

構造計算による物性

XLogP: 2.8
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: 142

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学的性質

融点: 48 · 48-51 °C(lit.)
沸点: 125 °C0.1 · 125 °C0.1 mm Hg(lit.)
比重(密度): 1.492 · 1.492 (estimate)
屈折率: 1.6 · 1.6000 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
外見: 個体
InChI: 1S/C6H4ClNO2S/c7-11-6-3-1-5(2-4-6)8(9)10/h1-4H
InChIKey: NCBOVAWEMBIIFK-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(SCl)cc1

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 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

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

安全データ

wgk: 3
ridadr: UN 3261 8/PG 2
risk_code: 34
hazard_code: C
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
packing_group: III
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

一般的な説明4-Nitrobenzenesulfenyl chloride has been used in n-Bu4NI-induced electrophilic cyclization of N,N-dimethyl-(2-phenylethynyl) aniline.

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