술포살리실 산

Sulfosalicylic Acid

HCID 7322CAS 97-05-2
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기본 정보

표준 SMILES
O=C(O)c1cc(S(=O)(=O)O)ccc1O
InChIKey
YCPXWRQRBFJBPZ-UHFFFAOYSA-N
분자식
C7H6O6S
평균 분자량
218.19 g/mol
단동위원소 질량
217.98850891

개요

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.

이름 및 식별자

우선 이름
Sulfosalicylic Acid
IUPAC
2-hydroxy-5-sulfobenzoic acid
현지명
술포살리실 산
영어명
Sulfosalicylic acid
분자식
C7H6O6S
분자량
218.18

이름 및 동의어

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
이름 더 보기
설포살리실산술포살리실산설포살리실산5-Sulfosalicylic2-Hydroxy-5-sulfo-benzoic acidcp18121TIMTEC-BB SBB0089275-sulfo-salicylicaci3-Sulfosalicylicacid
DTXSID7059145CHEBI:68555RefChem:889703DTXCID10490153-carboxy-4-hydroxybenzenesulfonate202-555-65-Sulphosalicylic acidSalicylic acid, sulfo-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.3
극성 표면적
120 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
14

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organic Acids
Melting Point120 °C
Physical Description · 2건

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

Solid

물리화학적 성질

녹는점
120 °C · 120°C
끓는 점
328.86 °C · 328.86°C (rough estimate)
밀도
1.7563 · 1.7563 (rough estimate)
증기압
0.005 Pa · 0.005Pa at 20℃
굴절률
1.53 · 1.5300 (estimate)
산도 계수 (pKa)
-0.62 · -0.62±0.50(Predicted)

화학적 성질

Colorless crystals, colored pink by traces of iron. Very soluble in water.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

5.6 [mg/m3]

61 [mg/m3]

370 [mg/m3]

안전 데이터

tsca
TSCA listed
ridadr
UN 1760
포장분류
III
위험 등급
8
기존화학 물질
KE-20887

화학 및 산업

약리 정보

Tissue LocationsProstate

용도 및 제조

UsesUsed as a clinical reagent (albumin in urine) and colorimetric reagent (ferric ion); [Merck Index]
General Manufacturing InformationBenzoic acid, 2-hydroxy-5-sulfo-: ACTIVE

응용 분야

용도Sulfosalicylic Acid is a benzoic acid derivative with acetylcholinesterase inhibitory properties.

제조 방법

생산 방법Sulfosalicylic 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.

상·하류 제품 정보

공급사50 곳

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]

추가 설명

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

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6건
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