CAS 123333-94-8 Sodium 4-styrenesulfonate (HCID 3571582)

部分構造検索類似構造を探す

基本情報

CAS: 123333-94-8
標準SMILES: C=Cc1ccc(S(=O)(=O)[O-])cc1.[Na+]
InChIKey: XFTALRAZSCGSKN-UHFFFAOYSA-M
分子式: C8H7NaO3S
平均分子量: 206.2 g/mol
単同位体質量: 206.00135936

概要

See other relationships...

名称と識別子

優先名称: Sodium 4-styrenesulfonate
IUPAC: sodium 4-ethenylbenzenesulfonate
現地名: p-スチレンスルホン酸ナトリウム水和物
英語名: 4-Styrenesulfonic acid, sodium salt hydr ate
分子式: C8H7NaO3S.xH2O
分子量: 0

名称と別名

2695-37-6Sodium p-StyrenesulfonateSodium 4-styrenesulfonateBenzenesulfonic acid, 4-ethenyl-, sodium saltSodium 4-vinylbenzenesulphonateUNII-0KP0V3OG5G0KP0V3OG5GCCRIS 9478EINECS 220-266-3RefChem:9161220-266-3Sodium 4-vinylbenzenesulfonate

名称をさらに表示

p-スチレンスルホン酸ナトリウム水和物4-スチレンスルホン酸ナトリウム塩水和物SodiuM p-Styrenesulfonate p-Styrenesulfonic Acid Sodium SaSodiump-StyrenesulfonateHydrate>Sodium 4-vinylbenzenesulfonate xhydrateSodium p-styrenesulfonate hydrate(1:1:x)Sodium p-styrenesulfonate hydrate4-Styrenesulfonic acid hydrate sodium saltBenzenesulfonic acid,4-ethenyl-, sodium salt, hydrate (1:1:?)

Sodium p-styrene sulfonatesodium;4-ethenylbenzenesulfonate4-Vinylbenzenesulfonic acid sodium saltDTXSID7044635p-Styrenesulfonic Acid Sodium SaltStyrene-4-sulfonic acid sodium saltMFCD00013379sodium styrene-4-sulfonate

データベース識別子

物性

構造計算による物性

極性表面積: 65.6 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 247

実験および物理化学的性質

Physical DescriptionDry Powder

物理化学的性質

融点: 151 · 151-154°C
比重(密度): 1.043 g/mL · 1.043 g/mL at 25 °C
屈折率: 20 · n20/D 1.387
闪点: 26 °C · 26°C
水溶解度: Soluble in water
外見: powder to crystal
色: White to Almost white
沸点: 111 · 111-112°C
InChI: 1S/C8H8O3S.Na.H2O/c1-2-7-3-5-8(6-4-7)12(9,10)11;;/h2-6H,1H2,(H,9,10,11);;1H2/q;+1;/p-1
InChIKey: AATHLPHPRXGBAI-UHFFFAOYSA-M
SMILES: [Na+].[H]O[H].[O-]S(=O)(=O)c1ccc(C=C)cc1

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.3% (2 of 595) of reports.

Warning

H315 (99.7%): 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 595 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzenesulfonic acid, 4-ethenyl-, sodium salt

Benzenesulfonic acid, 4-ethenyl-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 4-ethenyl-, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 26-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/17787

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (99.7%)

Acute Tox. 4 (100%)

安全データ

wgk: 3
ridadr: UN 1987C 3 / PGIII
hs_code: 29041000
risk_code: 22-36/37/38
化審法: (3)-1903, (3)-1948
hazard_code: Xn
safety_code: 26-36/37

化学と産業

用途と製造

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesAnti-scaling agent

General Manufacturing Information · 2 件

Other (requires additional information)

Benzenesulfonic acid, 4-ethenyl-, sodium salt (1:1): ACTIVE

応用分野 · 2 件

使用4-Styrenesulfonic acid sodium salt hydrate( NaSS, SSAS) was grafted on poly(ethersulfone) (PES) membrane to determine the fractionation of proteins with similar molecular weights and close pI values. NaSS based ion exchange membranes for membrane capacitive deionization (MCDI) have been synthesized. Copolymerization characteristics of sodium styrenesulfonate has been studied.c

一般的な説明4-Styrenesulfonic acid sodium salt hydrate is a water soluble vinyl monomer. It can be polymerized to form copolymers/homopolymers with other vinyl monomers.