Sulfophenyl nonanoate sodium salt - CAS 91125-43-8

Catalog:	BB054309
Product Name:	Sulfophenyl nonanoate sodium salt
CAS:	91125-43-8
Synonyms:	Nonanoic acid, sulfophenyl ester, sodium salt (1:1); NOBS; NOBS (surfactant); Sodium (nonanoyloxy)benzenesulfonate; Nonanoic acid, sulfophenyl ester, sodium salt

Technical Data

Safety and Hazards

Computed Properties

Related CAS:	101482-85-3 (free acid)
IUPAC Name:	sodium;2-nonanoyloxybenzenesulfonate
Molecular Weight:	337.38
Molecular Formula:	C15H22O5S.Na
Canonical SMILES:	CCCCCCCCC(=O)OC1=CC=CC=C1S(=O)(=O)[O-].[Na+]
InChI:	InChI=1S/C15H22O5S.Na/c1-2-3-4-5-6-7-12-15(16)20-13-10-8-9-11-14(13)21(17,18)19;/h8-11H,2-7,12H2,1H3,(H,17,18,19);/q;+1/p-1
InChI Key:	QSKQNALVHFTOQX-UHFFFAOYSA-M
Appearance:	Dry powder

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Related Functional Groups

Carbonyl Compounds

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

Sulfur Compounds

[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate
[16017-53-1]
1-(4-Chloro-benzenesulfonyl)-piperazine
[162515-68-6]
1-(Mercaptomethyl)cyclopropaneacetic Acid
[88778-21-6]
2-(2-Methoxyethoxy)ethanethiol

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N,N,N',N'-Tetramethyl-1,5-pentanediamine
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Ethanesulfonic acid, 2,2'-trithiodi-, disodium salt

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GHS Hazard Statement:	H317: May cause an allergic skin reaction [Warning Sensitization, Skin]; H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P313, P362+P364, and P501
Signal Word:	Danger

Complexity:	405
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	336.10073922
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	336.10073922
Rotatable Bond Count:	10
Topological Polar Surface Area:	91.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0