1-Octanesulfonyl chloride - CAS 7795-95-1

Catalog:	BB036090
Product Name:	1-Octanesulfonyl chloride
CAS:	7795-95-1
Synonyms:	octane-1-sulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	octane-1-sulfonyl chloride
Description:	1-Octanesulfonyl chloride (CAS# 7795-95-1) is a useful research chemical compound.
Molecular Weight:	212.74
Molecular Formula:	C8H17ClO2S
Canonical SMILES:	CCCCCCCCS(=O)(=O)Cl
InChI:	InChI=1S/C8H17ClO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3
InChI Key:	WIVNTNLDTMNDNO-UHFFFAOYSA-N
Boiling Point:	75 °C (0.03 mmHg)
Purity:	95 %
Density:	1.087 g/cm³
Appearance:	Clear colorless to slightly yellow liquid
MDL:	MFCD00014729
LogP:	3.99630

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PMID	Publication Date	Title	Journal
21200502	20071212	Bis(tetra-phenyl-phospho-nium) bis-[N-(octyl-sulfon-yl)dithio-carbimato(2-)-κS,S']-nickelate(II)	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[85-47-2]
1-Naphthalenesulfonic acid
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.0637786
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.0637786
Rotatable Bond Count:	7
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8