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

HCID 6099338CAS 63995-70-0

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Basic information

Standard 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
Molecular formula: C18H12Na3O9PS3
Average molar mass: 568.4 g/mol
Monoisotopic mass: 567.90741443

Overview

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Names & identifiers

Preferred name: Trisodium 3,3',3''-phosphinetriyltris(benzene-1-sulphonate)
IUPAC: trisodium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 197 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 3
Heavy atoms: 34
Formal charge: 0
Complexity: 768

Safety & regulation

GHS classification

GHS Classification · 5 items

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.