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Product No: AA3577

Sodium pentanesulfonate, 98%

Name: Sodium pentanesulfonate
Brand: Chempure

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CAS Number

22767-49-3

Molecular Weight

174.19

Formula

C5H11O3SNa

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About this item

IUPAC name	sodium;pentane-1-sulfonate
canonical smiles	CCCCCS(=O)(=O)[O-].[Na+]
inchi	InChI=1S/C5H12O3S.Na/c1-2-3-4-5-9(6,7)8;/h2-5H2,1H3,(H,6,7,8);/q;+1/p-1
inchi key	ROBLTDOHDSGGDT-UHFFFAOYSA-M
molecular formula	C5H11NaO3S
synonyms	22767-49-3 Sodium 1-pentanesulfonate sodium pentane-1-sulfonate Sodium pentanesulfonate 1-Pentanesulfonic acid sodium salt

Computed Properties

Molecular Weight:	174.20 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	4
Exact Mass:	174.03265966 g/mol
Monoisotopic Mass:	174.03265966 g/mol
Topological Polar Surface Area:	65.6 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	147
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:	2
Compound Is Canonicalized:	Yes

Related Compounds

Sodium hexane-1-sulfonate

Sodium 1-pentanesulfonate

Sodium 1-heptanesulfonate

Butane-1-sulfonate

1-Pentanesulfonyl chloride

Sodium 1-butanesulfonate

N-Butanesulfinic acid sodium salt

Sodium pentane-1-sulfonate hydrate

Pentane-2-sulfonyl chloride

Pentane-3-sulfonyl chloride

Pentanesulfonic acid

Hexane-1-sulfonate

Methyl propane sulfonic acid sodium salt

Sodium;hexane-1-sulfinate

(2r)-Butane-2-Sulfonate

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	An irritant.

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About this item

Documentation

Certificate of Analysis

Lot Number

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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	sodium;pentane-1-sulfonate
canonical smiles	CCCCCS(=O)(=O)[O-].[Na+]
inchi	InChI=1S/C5H12O3S.Na/c1-2-3-4-5-9(6,7)8;/h2-5H2,1H3,(H,6,7,8);/q;+1/p-1
inchi key	ROBLTDOHDSGGDT-UHFFFAOYSA-M
molecular formula	C5H11NaO3S
synonyms	22767-49-3 Sodium 1-pentanesulfonate sodium pentane-1-sulfonate Sodium pentanesulfonate 1-Pentanesulfonic acid sodium salt

Computed Properties

Molecular Weight:	174.20 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	4
Exact Mass:	174.03265966 g/mol
Monoisotopic Mass:	174.03265966 g/mol
Topological Polar Surface Area:	65.6 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	147
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:	2
Compound Is Canonicalized:	Yes

Related Compounds

Sodium hexane-1-sulfonate

Sodium 1-pentanesulfonate

Sodium 1-heptanesulfonate

Butane-1-sulfonate

1-Pentanesulfonyl chloride

Sodium 1-butanesulfonate

N-Butanesulfinic acid sodium salt

Sodium pentane-1-sulfonate hydrate

Pentane-2-sulfonyl chloride

Pentane-3-sulfonyl chloride

Pentanesulfonic acid

Hexane-1-sulfonate

Methyl propane sulfonic acid sodium salt

Sodium;hexane-1-sulfinate

(2r)-Butane-2-Sulfonate

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	An irritant.

Product No: AA3577

Sodium pentanesulfonate, 98%

Product No: AA3577

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: AA3577

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?