Sulfosalicylic Acid (HCID 7322)

概要

5-sulfosalicylic acid is an arenesulfonic acid that is benzoic acid substituted by a hydroxy at position C-2 and a sulfo group at C-5. It has a role as a metabolite. It is a member of benzoic acids, an arenesulfonic acid and a member of phenols. It is functionally related to a phenol and a benzoic acid.

名称と識別子

優先名称: Sulfosalicylic Acid
IUPAC: 2-hydroxy-5-sulfobenzoic acid
現地名: 5-スルホ-2-ヒドロキシ安息香酸
英語名: Sulfosalicylic acid
分子式: C7H6O6S
分子量: 218.18

名称と別名

5-Sulfosalicylic acid2-Hydroxy-5-sulfobenzoic acid97-05-2SULFOSALICYLIC ACIDSalicylsulfonic acidBenzoic acid, 2-hydroxy-5-sulfo-2-Hydroxybenzoic-5-sulfonic acid3-Carboxy-4-hydroxybenzenesulfonic acidSulphosalicylic acidKalcolor anodizing acidL8XED79U3UNSC-190565

名称をさらに表示

6-ヒドロキシ-3-スルホ安息香酸5-スルホサリチル酸2-ヒドロキシ-5-(ヒドロキシスルホニル)安息香酸スルホサリチル酸2-ヒドロキシ-5-スルホベンゼンカルボン酸2-ヒドロキシ-5-スルホ安息香酸5-スルホ-2-ヒドロキシ安息香酸2-ヒドロキシ-5-ヒドロキシスルホニル安息香酸5-Sulfosalicylic2-Hydroxy-5-sulfo-benzoic acidcp18121TIMTEC-BB SBB0089275-sulfo-salicylicaci3-Sulfosalicylicacid

DTXSID7059145CHEBI:68555RefChem:889703DTXCID10490153-carboxy-4-hydroxybenzenesulfonate202-555-65-Sulphosalicylic acidSalicylic acid, sulfo-

データベース識別子

CAS: 97-05-2
PubChem CID: 7322
DTXSID: DTXSID7059145
ChEMBL: CHEMBL2107580、CHEMBL229241
ChEBI: CHEBI:68555
UNII: L8XED79U3U
EC Number: 202-555-6
Nikkaji: J8.317H

物性

構造計算による物性

XLogP: 1.3
極性表面積: 120 Å²
水素結合供与体数: 3
水素結合受容体数: 6
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 316

実験および物理化学的性質

Chemical ClassesOther Classes -> Organic Acids

Melting Point120 °C

Physical Description · 2 件

Dihydrate: White solid; [Merck Index] White odorless powder; [Mallinckrodt Baker MSDS]

Solid

物理化学的性質

融点: 120 °C · 120°C
沸点: 328.86 °C · 328.86°C (rough estimate)
比重(密度): 1.7563 · 1.7563 (rough estimate)
蒸気圧: 0.005 Pa · 0.005Pa at 20℃
屈折率: 1.53 · 1.5300 (estimate)
酸解離定数(Pka): -0.62 · -0.62±0.50(Predicted)
外見: 液体
色: クリア
水溶解度: 987 g/L · 987g/L at 20℃
InChI: InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)
InChIKey: YCPXWRQRBFJBPZ-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(S(O)(=O)=O)=CC=C1O
LogP: -2.13 at · -2.13 at 20℃
CAS データベース: 97 · 97-05-2(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzoic acid, 2-hydroxy-5-sulfo-(97-05-2)
EPAの化学物質情報: 2 · Benzoic acid, 2-hydroxy-5-sulfo- (97-05-2)

化学的性質

化学的特性Colorless crystals, colored pink by traces of iron. Very soluble in water.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 2167 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzoic acid, 2-hydroxy-5-sulfo-

Status: Active Update: 13-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/22724

Benzoic acid, 2-hydroxy-5-sulpho-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and mucous membrane irritant; [Merck Index] An irritant; [Mallinckrodt Baker MSDS] See Salicylic acid.

Hazard Classes and CategoriesSkin Irrit. 2 (96.4%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

5.6 [mg/m3]

61 [mg/m3]

370 [mg/m3]

安全データ

tsca: TSCA listed
ridadr: UN 1760
hazard_class: 8
packing_group: III

化学と産業

薬理情報

Tissue LocationsProstate

用途と製造

UsesUsed as a clinical reagent (albumin in urine) and colorimetric reagent (ferric ion); [Merck Index]

General Manufacturing InformationBenzoic acid, 2-hydroxy-5-sulfo-: ACTIVE

応用分野

使用Sulfosalicylic Acid is a benzoic acid derivative with acetylcholinesterase inhibitory properties.

調製方法

Sulfosalicylic acid is obtained by heating one part of salicylic acid with 5 parts of concentrated sulfuric acid. It can also be prepared from the sulfochloride.

上流・下流製品情報

上流原料

2-ヒドロキシ安息香酸硫酸水素 Benzenesulfonic acid, 3-formyl-4-hydroxy-2-オキソ-2H-1-ベンゾピラン-6-スルホン酸クロロスルホン酸サリチル酸フェニル

下流製品

ドキシシクリン·塩酸塩 3,5-ジクロロサリチル酸

サプライヤー50 社

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

天津市光复科技发展有限公司022-85689490 13132141716 · [email protected]

補足説明

定義ChEBI: An arenesulfonic acid that is benzoic acid substituted by a hydroxy at position C-2 and a sulfo group at C-5.

5-スルホ-2-ヒドロキシ安息香酸

基本情報

概要