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Product No: AB1603

Sodium 3,3',3''-phosphinetriyltribenzenesulfonate, 85%

Name: Sodium 3,3',3''-phosphinetriyltribenzenesulfonate
Brand: Chempure

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CAS Number

63995-70-0

Molecular Weight

568.42

Formula

C18H12Na3O9PS3

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IUPAC name	trisodium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate
canonical smiles	C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
inchi	InChI=1S/C18H15O9PS3.3Na/c19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;;;/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3
inchi key	MYAJTCUQMQREFZ-UHFFFAOYSA-K
molecular formula	C18H12Na3O9PS3
synonyms	63995-70-0 Sodium 3,3',3''-phosphinetriyltribenzenesulfonate Triphenylphosphine-3,3',3''-trisulfonic acid trisodium salt TPPTS Tris(3-sulfophenyl)phosphine trisodium salt

Computed Properties

Molecular Weight:	568.4 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	9
Rotatable Bond Count:	3
Exact Mass:	567.90741532 g/mol
Monoisotopic Mass:	567.90741532 g/mol
Topological Polar Surface Area:	197 Å²
Heavy Atom Count:	34
Formal Charge:	0
Complexity:	768
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	4
Compound Is Canonicalized:	Yes

Related Compounds

Sodium 3,3',3''-phosphinetriyltribenzenesulfonate

Bis(p-sulfonatophenyl)phenylphosphine dihydrate dipotassium salt

Sodium 3-(diphenylphosphino)benzenesulfonate

3-(Diphenylphosphanyl)benzene-1-sulfonic acid

2-(Diphenylphosphino)benzenesulfonic acid

4,4'-(Phenylphosphinidene)bis(benzenesulfonic acid) dipotassium salt hydrate

Disodium 3,3'-(phenylphosphinediyl)bis(benzene-1-sulphonate)

4-[Bis(4-sulfophenyl)phosphino]benzenesulfonic acid

Tris(3-sulfophenyl)phosphine

Tris(3-sulfonatophenyl) phosphine

Sodium 3,3',3''-phosphinetriyltribenzenesulfonate hydrate

Ferric benzenesulfonate

Lanthanum-benzenesulfonate

5-Bis(4-fluoro-3-sulfophenyl)phosphanyl-2-fluorobenzenesulfonic acid

2-Bis(2-sulfophenyl)phosphanylbenzenesulfonic acid

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	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
hazard statements	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]
hazards summary	A skin and strong eye irritant. See Triphenylphosphine.

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Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	trisodium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate
canonical smiles	C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
inchi	InChI=1S/C18H15O9PS3.3Na/c19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;;;/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3
inchi key	MYAJTCUQMQREFZ-UHFFFAOYSA-K
molecular formula	C18H12Na3O9PS3
synonyms	63995-70-0 Sodium 3,3',3''-phosphinetriyltribenzenesulfonate Triphenylphosphine-3,3',3''-trisulfonic acid trisodium salt TPPTS Tris(3-sulfophenyl)phosphine trisodium salt

Computed Properties

Molecular Weight:	568.4 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	9
Rotatable Bond Count:	3
Exact Mass:	567.90741532 g/mol
Monoisotopic Mass:	567.90741532 g/mol
Topological Polar Surface Area:	197 Å²
Heavy Atom Count:	34
Formal Charge:	0
Complexity:	768
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	4
Compound Is Canonicalized:	Yes

Related Compounds

Sodium 3,3',3''-phosphinetriyltribenzenesulfonate

Bis(p-sulfonatophenyl)phenylphosphine dihydrate dipotassium salt

Sodium 3-(diphenylphosphino)benzenesulfonate

3-(Diphenylphosphanyl)benzene-1-sulfonic acid

2-(Diphenylphosphino)benzenesulfonic acid

4,4'-(Phenylphosphinidene)bis(benzenesulfonic acid) dipotassium salt hydrate

Disodium 3,3'-(phenylphosphinediyl)bis(benzene-1-sulphonate)

4-[Bis(4-sulfophenyl)phosphino]benzenesulfonic acid

Tris(3-sulfophenyl)phosphine

Tris(3-sulfonatophenyl) phosphine

Sodium 3,3',3''-phosphinetriyltribenzenesulfonate hydrate

Ferric benzenesulfonate

Lanthanum-benzenesulfonate

5-Bis(4-fluoro-3-sulfophenyl)phosphanyl-2-fluorobenzenesulfonic acid

2-Bis(2-sulfophenyl)phosphanylbenzenesulfonic acid

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	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
hazard statements	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]
hazards summary	A skin and strong eye irritant. See Triphenylphosphine.

Product No: AB1603

Sodium 3,3',3''-phosphinetriyltribenzenesulfonate, 85%

Product No: AB1603

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AB1603

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?