1-Naphthalenesulfonyl chloride (HCID 66560)

名称と識別子

優先名称: 1-Naphthalenesulfonyl chloride
IUPAC: naphthalene-1-sulfonyl chloride
現地名: 1-ナフタレンスルホニルクロリド
英語名: 1-Naphthalenesulfonyl chloride
分子式: C10H7ClO2S
分子量: 226.68

名称と別名

1-Naphthalenesulfonyl chloride85-46-13WYX4I0SJR1-ChlorosulfonylnaphthaleneNSC 746361-Naphthalenesulfonyl chlorinenaphthylsulphonyl chlorideEINECS 201-609-6UNII-3WYX4I0SJRNSC-74636AI3-19494DTXSID6058922

名称をさらに表示

1-ナフタレンスルホニルクロリドα-ナフタレンスルホンクロリド1-ナフタレンスルホン酸クロリドナフタレン-1-スルホニルクロリドナフタレン-1-スルホン酸クロリド1-ナフタレンスルホニルクロリド塩化1-ナフタレンスルホニルα-ナフタリンスルホン酸クロリドNAPHTHOSULFOCHLORIDEalpha-Naphthalenesulfochloride1-NAPHTHALENESULPHONYL CHLORIDENaphthalenesulfonyl chloridNaphthalene sulfonyl chloride1-NAPTHALENESULFONIC CHLORIDE

NAPHTHALEN-1-SULFONYL CHLORIDERefChem:76521DTXCID8048448201-609-6DASJFYAPNPUBGG-UHFFFAOYSA-Nnaphthalene-1-sulfonyl chloride1-Naphthylsulfonyl chlorideNaphthalenesulfonyl chloride

データベース識別子

CAS: 85-46-1
PubChem CID: 66560
DTXSID: DTXSID6058922
UNII: 3WYX4I0SJR
EC Number: 201-609-6
Nikkaji: J60.081D

物性

構造計算による物性

XLogP: 3.2
極性表面積: 42.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 294

物理化学的性質

融点: 64 · 64-67 °C (lit.)
沸点: 194 · 194-195 °C/13 mmHg (lit.)
比重(密度): 1.3661 · 1.3661 (estimate)
闪点: 194 · 194-195°C/13mm
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 25 mg/mL、透明～わずかにかすんだ、無色～黄色 · クロロホルム: 可溶25mg/mL、透明～わずかにかすんだ、無色～黄色
外見: powder to crystal
色: White to Almost white
水溶解度: 不溶性
BRN: 2099333 · 2099333
InChI: 1S/C10H7ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey: DASJFYAPNPUBGG-UHFFFAOYSA-N
SMILES: ClS(=O)(=O)c1cccc2ccccc12
CAS データベース: 85 · 85-46-1(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Naphthalenesulfonyl chlorine(85-46-1)
EPAの化学物質情報: 1 · 1-Naphthalenesulfonyl chloride (85-46-1)

化学的性質

化学的特性white to beige crystalline powder

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]

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

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.；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

Regulatory Information1-Naphthalenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard

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

法規制情報

Regulatory Information1-Naphthalenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29049090
risk_code: 34
化審法: (4)-1096
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45-27
hazard_class: 8
packing_group: II
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

用途と製造

General Manufacturing Information1-Naphthalenesulfonyl chloride: INACTIVE

応用分野 · 2 件

使用1-Naphthalenesulfonyl chloride has been used in the preparation of 5-O-naphthaleneiulfonyldeoxyuridine and 1-sulfonylindazole derivatives. The derivatives of this compound is used for quantitative metabolome analysis New set of isotope reagents, 12C4-, 12C213C2-, and 13C4-5-diethylamino-naphthalene-1-sulfonyl chloride (DensCl), in combination with liquid chromatography Fourier-transform ion cyclotron resonance mass spectrometry (LC-FTICR-MS) is used for improved analysis of the amine- and phenol-containing submetabolome.

一般的な説明1-Naphthalenesulfonyl chloride undergoes desulfitative carbonylative Stille cross-coupling reaction with tinglucal derivative.

調製方法 · 1 件

純化方法If the IR indicates the presence of OH, then treat it with an equal weight of PCl5 and heat it at ca 100o for 2hours, cool and pour onto ice + H2O, stir well and filter off the solid. Wash the solid with cold H2O and dry the solid in a vacuum desiccator over P2O5 + solid KOH. Extract the solid with pet ether (b 40-60o), filter off any insoluble solid and cool. Collect the crystalline sulfonyl chloride and recrystallise it from dry Et2O, pet ether or *C6H6/pet ether. If large quantities are available, then it can be distilled under high vacuum. [Fierz-Davaid & Weissenbach Helv Chim Acta 3 2312 1920.] The sulfonamide crystallises from EtOH (m 150.5o) or H2O (m 153o). [Beilstein 11 H 175, 11 II 93, 11 IV 383.]