2,6-Dimethylbenzenesulfonyl Chloride - CAS 2905-29-5

Catalog:	BB020068
Product Name:	2,6-Dimethylbenzenesulfonyl Chloride
CAS:	2905-29-5
Synonyms:	2,6-dimethylbenzenesulfonyl chloride; 2,6-dimethylbenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,6-dimethylbenzenesulfonyl chloride
Description:	An aromatic sulfonic acid chloride as sorbates in gas-liquid chromatography.
Molecular Weight:	204.67
Molecular Formula:	C8H9ClO2S
Canonical SMILES:	CC1=C(C(=CC=C1)C)S(=O)(=O)Cl
InChI:	InChI=1S/C8H9ClO2S/c1-6-4-3-5-7(2)8(6)12(9,10)11/h3-5H,1-2H3
InChI Key:	FKRXAOXJRNLGQK-UHFFFAOYSA-N
Boiling Point:	291.3 °C at 760 mmHg
Density:	1.29 g/cm³
LogP:	3.31170

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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[874-87-3]
4-(Methylthio)benzyl chloride
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[1879-16-9]
4-Methoxythioanisole

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:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.0011784
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.0011784
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7