4-メチルベンゼンスルホン酸銀(I)

Benzenesulfonic acid, 4-methyl-, silver(1+) salt (1:1)

HCID 85606CAS 16836-95-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc(S(=O)(=O)[O-])cc1.[Ag+]
InChIKey: JUDUFOKGIZUSFP-UHFFFAOYSA-M
分子式: C7H7AgO3S
平均分子量: 279.06 g/mol
単同位体質量: 277.91668708

名称と識別子

優先名称: Benzenesulfonic acid, 4-methyl-, silver(1+) salt (1:1)
IUPAC: silver 4-methylbenzenesulfonate
現地名: 4-メチルベンゼンスルホン酸銀(I)
英語名: Silver p-toluenesulfonate
分子式: C7H7AgO3S
分子量: 279.06

名称と別名

Silver p-toluenesulfonateSilver tosylateSilver p-toluenesulphonateSilver p-tosylateNSC 231877p-Toluenesulfonic acid, silver(1+) saltEINECS 240-859-0Silver p-methylbenzenesulfonateBenzenesulfonic acid, 4-methyl-, silver(1+) saltBenzenesulfonic acid, 4-methyl-, silver(1+) salt (1:1)DTXSID9066122RefChem:564662

名称をさらに表示

p-トルエンスルホン酸銀(I)4-メチルベンゼンスルホン酸銀(I)P-トルエンスルホン酸銀アルゲンチオ 4-メチルベンゼン-1-スルホナートver p-toLsilver(i) tosylateSilver p-tolylsulfonateSILVER 4-TOLUENESULFONATESILVER TOLUENE-4-SULFONATE

DTXCID0035401240-859-016836-95-6Silver(I) 4-methylbenzenesulfonatep-Toluenesulfonic acid silver saltsilver 4-methylbenzenesulfonateMFCD00007511silver;4-methylbenzenesulfonate

データベース識別子

CAS: 16836-95-6
PubChem CID: 85606
DTXSID: DTXSID9066122
EC Number: 240-859-0
Nikkaji: J236.866H

物性

構造計算による物性

極性表面積: 65.6 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: 12
形式電荷: 0
複雑度: 193

物理化学的性質

融点: 264 · 264-266℃ (decomposition)
貯蔵温度: 30 °C · Store below +30°C.
溶解性: sol acetonitrile, diethyl ether, water
外見: 粉
水溶解度: 水に溶ける。
BRN: 3598937 · 3598937
主な用途: PEM燃料電池材料合成前駆体
InChI: 1S/C7H8O3S.Ag/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1
InChIKey: JUDUFOKGIZUSFP-UHFFFAOYSA-M
SMILES: [Ag+].Cc1ccc(cc1)S([O-])(=O)=O
CAS データベース: 16836 · 16836-95-6(CAS DataBase Reference)
EPAの化学物質情報: 4 · Benzenesulfonic acid, 4-methyl-, silver(1+) salt (16836-95-6)

化学的性質

化学的特性WHITE TO LIGHT GREY CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzenesulfonic acid, 4-methyl-, silver(1+) salt

Benzenesulfonic acid, 4-methyl-, silver(1+) salt: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F: 8
wgk: 3
tsca: TSCA listed
hs_code: 2843290000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 9
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationBenzenesulfonic acid, 4-methyl-, silver(1+) salt (1:1): ACTIVE

応用分野 · 1 件

使用Silver p-toluenesulfonate is used to converts alkyl halides to tosylates, and benzyl selenyl chlorides into their corresponding selenyl tosylates. It used in promotion of the leaving ability of halogens. For use in the conversion of alkyl halides to alkyl tosylates.

調製方法

製造方法Silver p-toluenesulfonate can be prepared by mixing aqueous solutions of Silver(I) Nitrate and sodium tosylate and filtering off the precipitate.

純化方法The anhydrous salt is obtained by recrystallisation from H2O. Store it in the dark. [Claesson & Wallin Chem Ber 12 1851 1879, Beilstein 11 H 97, 99.]