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

[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Sulfur Compounds

[6633-90-5]
1,4-Butanedithiol diacetate
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[21124-33-4]
Ammonium diethyldithiocarbamate

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