술포살리실 산
Sulfosalicylic Acid
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기본 정보
- CAS
97-05-2- 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
- 217.98850908
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-Sulphosalicylic acid2-Hydroxybenzoic-5-sulfonic acid3-Carboxy-4-hydroxybenzenesulfonic acidKalcolor anodizing acidL8XED79U3UNSC-190565
이름 더 보기
설포살리실산술포살리실산설포살리실산5-Sulfosalicylic2-Hydroxy-5-sulfo-benzoic acidcp18121TIMTEC-BB SBB0089275-sulfo-salicylicaci3-Sulfosalicylicacid
DTXSID7059145CHEBI:685553-carboxy-4-hydroxybenzenesulfonateRefChem:889703DTXCID1049015202-555-65-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 물성보충 중
- 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
- 형식 전하
- 0
- 복잡도
- 316
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
Melting Point120 °C
Physical Description
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)
- 물리적 상태
- 액체
- 색상
- 투명한
- 수용성
- 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℃
- NIST
- 2 · Benzoic acid, 2-hydroxy-5-sulfo-(97-05-2)
- EPA
- 2 · Benzoic acid, 2-hydroxy-5-sulfo- (97-05-2)
화학적 성질
Colorless crystals, colored pink by traces of iron. Very soluble in water.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
Chemical: Benzoic acid, 2-hydroxy-5-sulfo-
REACH registered substance: 5-sulphosalicylic acid (EC: 202-555-6)
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)
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
상류 원료
하류 제품
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.
관련 반응
6건
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