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4-methoxy-2,6-dimethylbenzene-1-sulfonyl chloride

4-methoxy-2,6-dimethylbenzene-1-sulfonyl chloride - CAS 55661-08-0

Catalog:	BB029121
Product Name:	4-methoxy-2,6-dimethylbenzene-1-sulfonyl chloride
CAS:	55661-08-0
Synonyms:	4-methoxy-2,6-dimethylbenzenesulfonyl chloride; 4-methoxy-2,6-dimethylbenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-methoxy-2,6-dimethylbenzenesulfonyl chloride
Description:	4-methoxy-2,6-dimethylbenzene-1-sulfonyl chloride (CAS# 55661-08-0) is a useful research chemical.
Molecular Weight:	234.694
Molecular Formula:	C9H11ClO3S
Canonical SMILES:	CC1=CC(=CC(=C1S(=O)(=O)Cl)C)OC
InChI:	InChI=1S/C9H11ClO3S/c1-6-4-8(13-3)5-7(2)9(6)14(10,11)12/h4-5H,1-3H3
InChI Key:	FARJAHHRGCAAOY-UHFFFAOYSA-N
Boiling Point:	356.097 °C at 760 mmHg
Density:	1.285 g/cm³
MDL:	MFCD00210327
LogP:	3.32030

Publication Number	Title	Priority Date
CN-110627832-A	Preparation method for synthesizing tenofovir alafenamide by oxidation method	20191007
CN-110256305-A	A kind of naphthalenesulfonamide compound, preparation method and application	20190724
CN-110256305-B	Naphthalene sulfonamide compound, preparation method and application	20190724
WO-2021012721-A1	Naphthalenesulfonamide compound, preparation method, and application	20190724
WO-2019215291-A1	Novel sulfonamide derivatives having selective nox inhibiting activity	20180509

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Related Functional Groups

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Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[1778-09-2]
4'-(Methylthio)acetophenone
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate
[16017-53-1]
1-(4-Chloro-benzenesulfonyl)-piperazine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	271
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.0117431
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.0117431
Rotatable Bond Count:	2
Topological Polar Surface Area:	51.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6