4-sec-Butylbenzenesulfonyl Chloride - CAS 56609-83-7

Catalog:	BB029418
Product Name:	4-sec-Butylbenzenesulfonyl Chloride
CAS:	56609-83-7
Synonyms:	4-butan-2-ylbenzenesulfonyl chloride; 4-butan-2-ylbenzenesulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	4-butan-2-ylbenzenesulfonyl chloride
Description:	4-sec-Butylbenzenesulfonyl Chloride (CAS# 56609-83-7) is a useful research chemical.
Molecular Weight:	232.73
Molecular Formula:	C10H13ClO2S
Canonical SMILES:	CCC(C)C1=CC=C(C=C1)S(=O)(=O)Cl
InChI:	InChI=1S/C10H13ClO2S/c1-3-8(2)9-4-6-10(7-5-9)14(11,12)13/h4-8H,3H2,1-2H3
InChI Key:	WJWCEGFXTKWVPH-UHFFFAOYSA-N
Boiling Point:	299.1 °C at 760 mmHg
Density:	1.207 g/cm³
MDL:	MFCD00024886
LogP:	4.20840

Publication Number	Title	Priority Date
US-2015048278-A1	Polymer and conductive composition	20130814
US-9672952-B2	Polymer and conductive composition	20130814
US-2014179875-A1	Sulfurization reagents on solid supports	20110729
WO-2010061032-A1	Preparation of functionalized surfaces of polystyrene substrates	20081127
US-2010029753-A1	Modulators of ccr9 receptor and methods of use thereof	20080730

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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:	260
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.0324785
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.0324785
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5