p-スルホ安息香酸·カリウム

Potassium 4-carboxybenzenesulfonate

HCID 23670833
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基本情報

CAS
5399-63-3
標準SMILES
O=C([O-])c1ccc(S(=O)(=O)O)cc1.[K+]
InChIKey
PXRJBUPXKDXDLG-UHFFFAOYSA-M
分子式
C7H5KO5S
平均分子量
240.28 g/mol
単同位体質量
239.94947591

名称と識別子

優先名称
Potassium 4-carboxybenzenesulfonate
IUPAC
potassium 4-sulfobenzoate
現地名
p-スルホ安息香酸·カリウム
英語名
4-Sulfobenzoic acid monopotassium salt
分子式
C7H5KO5S
分子量
240.27

名称と別名

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
名称をさらに表示
p-スルホ安息香酸·カリウムP-スルホ安息香酸カリウムP-スルホ安息香酸一カリウム4-スルホ安息香酸, カリウム塩4-スルホ安息香酸一カリウム塩4-スルホ安息香酸 カリウム塩4-スルホ安息香酸一カリウム塩, 95%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

データベース識別子

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

物性

構造計算による物性

極性表面積
103 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
2
重原子数
14

実験および物理化学的性質

Physical DescriptionWhite hygroscopic powder; [Alfa Aesar MSDS]

物理化学的性質

貯蔵温度
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
CAS データベース
5399 · 5399-63-3(CAS DataBase Reference)
EPAの化学物質情報
4 · Benzoic acid, 4-sulfo-, monopotassium salt (5399-63-3)

化学的性質

化学的特性WHITE FINE CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

安全データ

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

化学と産業

用途と製造

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

応用分野

用途有機合成原料。

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

上流・下流製品情報

サプライヤー69 社

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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