Potassium 4-carboxybenzenesulfonate

HCID 23670833CAS 5399-63-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C([O-])c1ccc(S(=O)(=O)O)cc1.[K+]
InChIKey
PXRJBUPXKDXDLG-UHFFFAOYSA-M
분자식
C7H5KO5S
평균 분자량
240.28 g/mol
단동위원소 질량
239.94947591

이름 및 식별자

우선 이름
Potassium 4-carboxybenzenesulfonate
IUPAC
potassium 4-sulfobenzoate
영어명
4-Sulfobenzoic acid monopotassium salt
분자식
C7H5KO5S
분자량
240.27

이름 및 동의어

Potassium hydrogen 4-sulphonatobenzoateBenzoic acid, 4-sulfo-, potassium salt (1:1)RefChem:8676234Sulfobenzoic acid monopotassium saltPotassium hydrogen 4sulphonatobenzoatepSulphobenzoic acid, monopotassium saltBenzoic acid, 4sulfo, monopotassium saltBenzoic acid, 4sulfo, potassium salt (1:1)Potassium 4-carboxybenzenesulfonateBenzoic acid, 4-sulfo-, monopotassium saltpotassium 4-sulfobenzoateNV8R6RKX3Y
이름 더 보기
Monopotassium p-sulfobenzoatePOTASSIUM P-SULFOBENZOIC ACIDP-SULFOBENZOIC ACID POTASSIUM SALT4-Sulfobenzoic acid, pottasium salt4-sulfo-benzoicacimonopotassiumsalt4-SULFOBENZOIC ACID, POTASSIUM SALTpotassium hydrogen 4-sulphotobenzoate
Potassium hydrogen 4-sulfobenzoate4-sulphobenzoic acid monopotassium saltp-Sulphobenzoic acid, monopotassium saltNSC-4862C7H5KO5SMONOPOTASSIUM 4-SULFOBENZOATEpotassium;4-sulfobenzoateUNII-NV8R6RKX3Y

데이터베이스 식별자

CAS
5399-63-3
PubChem CID
23670833
DTXSID
DTXSID3063837
UNII
NV8R6RKX3Y
EC Number
226-435-8
Nikkaji
J168.784K、J168.791C

물성

구조 계산 물성

극성 표면적
103 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
2
무거운 원자 수
14

실험 및 물리화학적 성질

Physical DescriptionWhite hygroscopic powder; [Alfa Aesar MSDS]

물리화학적 성질

저장 조건
2 · 2-8°C, sealed storage, away from moisture
InChI
1S/C7H6O5S.K/c8-7(9)5-1-3-6(4-2-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-1
InChIKey
PXRJBUPXKDXDLG-UHFFFAOYSA-M
SMILES
[K+].OC(=O)c1ccc(cc1)S([O-])(=O)=O
EPA
4 · Benzoic acid, 4-sulfo-, monopotassium salt (5399-63-3)

화학적 성질

WHITE FINE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Benzoic acid. See Sodium benzosulfonate.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29161900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 4-sulfo-, potassium salt (1:1): INACTIVE

응용 분야

용도Potassium 4-Carboxybenzenesulfonate is used as a reactant for the synthesis of Potassium and Rubidium Arenesulfonates which shows coordination behavior towards the anions.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

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