Trisodium 3,3',3''-phosphinetriyltris(benzene-1-sulphonate)

HCID 6099338CAS 63995-70-0

部分構造検索類似構造を探す

基本情報

標準SMILES: O=S(=O)([O-])c1cccc(P(c2cccc(S(=O)(=O)[O-])c2)c2cccc(S(=O)(=O)[O-])c2)c1.[Na+].[Na+].[Na+]
InChIKey: MYAJTCUQMQREFZ-UHFFFAOYSA-K
分子式: C18H12Na3O9PS3
平均分子量: 568.4 g/mol
単同位体質量: 567.90741443

概要

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名称と識別子

優先名称: Trisodium 3,3',3''-phosphinetriyltris(benzene-1-sulphonate)
IUPAC: trisodium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate

名称と別名

EINECS 264-596-6Trisodium 3,3',3''-phosphinetriyltris(benzene-1-sulphonate)Benzenesulfonic acid, 3,3',3''-phosphinidynetris-, sodium salt (1:3)RefChem:900480264-596-663995-70-0Sodium 3,3',3''-phosphinetriyltribenzenesulfonateTriphenylphosphine-3,3',3''-trisulfonic acid trisodium saltTPPTSTris(3-sulfophenyl)phosphine trisodium saltMFCD00145472WUE9W42Q27

名称をさらに表示

trisodium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonatetris-(3-Sulfornatophenyl)-phosphine 4-hydrate sodium salttris(3-sulfonatophenyl)phosphine sodium saltTris(3-sulfophenyl)phosphine Trisodium (~85%)Triphenylphosphine-m-trisulfonic acid trisodium saltTriphenylphosphine-3,3',3''-trisulfonic acid trisodium salttrisodium 3-[bis(3-sulfonatophenyl)phosphino]benzenesulfonateCS-W008416

データベース識別子

CAS: 63995-70-0
PubChem CID: 6099338
DTXSID: DTXSID60213972
UNII: WUE9W42Q27
EC Number: 264-596-6
Nikkaji: J310.024C

物性

構造計算による物性

極性表面積: 197 Å²
水素結合供与体数: 0
水素結合受容体数: 9
回転可能結合数: 3
重原子数: 34
形式電荷: 0
複雑度: 768

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.