2-Naphthalenesulfonyl chloride - CAS 93-11-8

Catalog:	BB040780
Product Name:	2-Naphthalenesulfonyl chloride
CAS:	93-11-8
Synonyms:	naphthalene-2-sulfonyl chloride

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Computed Properties

IUPAC Name:	naphthalene-2-sulfonyl chloride
Description:	2-Naphthalenesulfonyl chloride (CAS# 93-11-8) is a useful research chemical.
Molecular Weight:	226.68
Molecular Formula:	C10H7ClO2S
Canonical SMILES:	C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)Cl
InChI:	InChI=1S/C10H7ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChI Key:	OPECTNGATDYLSS-UHFFFAOYSA-N
Boiling Point:	147.7 °C (0.6 mmHg)
Melting Point:	74-76 °C
Purity:	99 %
Density:	1.414 g/cm³
Appearance:	Powder
MDL:	MFCD00004087
LogP:	3.84810

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PMID	Publication Date	Title	Journal
21583912	20090422	N-(5-Bromo-2-chloro-benz-yl)-N-cyclo-propyl-naphthalene-2-sulfonamide	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Sulfur Compounds

[123-43-3]
Sulfoacetic acid
[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
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

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GHS Hazard Statement:	H314 (89.25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P273, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P332+P313, P362, P363, P391, P405, and P501
Signal Word:	Danger

Complexity:	294
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.9855283
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.9855283
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9