CAS 21799-87-1 Potassium dobesilate (HCID 23672329)

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기본 정보

CAS: 21799-87-1
표준 SMILES: O=S(=O)([O-])c1cc(O)ccc1O.[K+]
InChIKey: VKDSBABHIXQFKH-UHFFFAOYSA-M
분자식: C6H5KO5S
평균 분자량: 228.27 g/mol
단동위원소 질량: 227.94947594

개요

for topical treatment of actinic keratoses

이름 및 식별자

우선 이름: Potassium dobesilate
IUPAC: potassium 2,5-dihydroxybenzenesulfonate
현지명: 2,5-디히드록시벤젠술폰산, 모노칼륨 염
영어명: Potassium 2,5-dihydroxybenzenesulfonate
분자식: C6H7KO5S
분자량: 230.28

이름 및 동의어

Potassium 2,5-dihydroxybenzenesulfonate21799-87-1Potassium dobesilatePotassium HydroquinonesulfonateBenzenesulfonic acid, 2,5-dihydroxy-, monopotassium saltDTXSID8044410249E3F00EPUNII-249E3F00EPDTXCID6024410EINECS 244-584-7Potassium 2,5-dihydroxybenzenesulphonateBenzenesulfonic acid, 2,5-dihydroxy-, potassium salt (1:1)

이름 더 보기

2,5-다이하이드록시벤젠설폰산,모노칼륨염2,5-디히드록시벤젠술폰산,모노칼륨염2,5-다이하이드록시벤젠설폰산,모노칼륨염K-SALTPotassium 2,5-dihydr2,5-Dihydroxybenzenesulfonic2,5-dihydroxybenzenesulfonatePOTASSIUM HYDROQUINONE SULPHONATEPotassiumHydroquinonesulfonate>HYDROQUINONE SULFONIC ACID, K SALTKalium-2-5-dihydroxybenzolsulfonat

2,5-Dihydroxybenzenesulfonic acid, monopotassium saltRefChem:175470Hydroquinonesulfonic acid potassium salt2,5-Dihydroxybenzenesulfonic acid potassium saltpotassium 2,5-dihydroxybenzene-1-sulfonatepotassium;2,5-dihydroxybenzenesulfonateHMS2234I14MFCD00007475

물성

구조 계산 물성

극성 표면적: 106 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 246

물리화학적 성질

녹는점: 251 °C · 251 °C (dec.)(lit.)
끓는 점: 591.05 ℃[at · 591.05℃[at 101 325 Pa]
밀도: 1.74 · 1.74[at 20℃]
증기압: 0 Pa · 0Pa at 25℃
저장 조건: 30 °C · Store below +30°C.
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 녹는
BRN: 5187027 · 5187027
안정성: 안정적인. 염기, 산화제와 호환되지 않습니다.
InChI: InChI=1S/C6H6O5S.K.H/c7-4-1-2-5(8)6(3-4)12(9,10)11;;/h1-3,7-8H,(H,9,10,11);;
InChIKey: NFNMIXKGPIRZMQ-UHFFFAOYSA-N
SMILES: S(C1C=C(O)C=CC=1O)(O)(=O)=O.[KH]
LogP: -3.912 at · -3.912 at 25℃
EPA: 2 · Benzenesulfonic acid, 2,5-dihydroxy-, monopotassium salt (21799-87-1)

화학적 성질

white solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.4% (1 of 233) of reports.

Warning

H302 (31.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 233 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzenesulfonic acid, 2,5-dihydroxy-, monopotassium salt

Status: Active Update: 09-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25183

Benzenesulfonic acid, 2,5-dihydroxy-, monopotassium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (31.3%)