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Cas Database

Name	4-Methoxybenzenesulfonyl chloride	EINECS	202-692-1
CAS No.	98-68-0	Density	1.376 g/cm³
PSA	51.75000	LogP	2.70350
Solubility	decomposes with water	Melting Point	39-42 °C(lit.)
Formula	C₇H₇ClO₃S	Boiling Point	315.6 °C at 760 mmHg
Molecular Weight	206.65	Flash Point	144.7 °C
Transport Information	UN 3261 8/PG 2	Appearance	white to beige crystalline solid
Safety	26-36/37/39-45-28-27	Risk Codes	34-29
Molecular Structure		Hazard Symbols	C
Synonyms	Benzenesulfonylchloride, p-methoxy- (6CI,7CI,8CI);4-Methoxybenzene-1-sulfonyl chloride;4-Methoxybenzenesulfonic acid chloride;4-Methoxyphenylsulphonyl chloride;NSC 403292;p-Anisylsulfonyl chloride;p-Methoxybenzenesulfonyl chloride;p-Methoxyphenylsulfonyl chloride;	Article Data	80

4-Methoxybenzenesulfonyl chloride Synthetic route

: 696-63-9
4-Methoxybenzenethiol

: 98-68-0
4-methoxy-phenyl-sulphonyl chloride

Conditions

Conditions	Yield
With N,N,N',N'-tetrachlorobenzene-1,3-disulphonamide; tetrabutyl-ammonium chloride; water In acetonitrile at 0 - 20℃; for 0.333333h;	99%
With trichloroisocyanuric acid; water In acetonitrile at 0 - 20℃; for 0.333333h;	99%
With thionyl chloride; dihydrogen peroxide In water; acetonitrile at 25℃; for 0.0166667h;	98%

: methylthiocarbamic acid S-(4-methoxyphenyl)ester

: 98-68-0
4-methoxy-phenyl-sulphonyl chloride

Conditions

Conditions	Yield
With hydrogenchloride; N-chloro-succinimide In acetonitrile at 10℃;	98.1%

: 60787-31-7
S-(4-methoxyphenyl) ethanethioate

: 98-68-0
4-methoxy-phenyl-sulphonyl chloride

Conditions

Conditions	Yield
With hydrogenchloride; N-chloro-succinimide In acetonitrile at 10℃;	97.7%

: 5335-87-5
4,4'-dimethoxyphenyl disulfide

: 98-68-0
4-methoxy-phenyl-sulphonyl chloride

Conditions

Conditions	Yield
With dihydrogen peroxide; zirconium(IV) chloride In water; acetonitrile at 25℃; for 0.0166667h;	96%
With dihydrogen peroxide; trichlorophosphate In water at 25℃; for 0.5h; Micellar solution;	95%
With 1,3-dichloro-5,5-dimethylhydantoin; acetic acid In dichloromethane; water at 0 - 20℃; Inert atmosphere;	92%

: 5857-42-1
4-methoxybenzenesulfonic acid

: 98-68-0
4-methoxy-phenyl-sulphonyl chloride

Conditions

Conditions	Yield
With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine; potassium chloride at 25℃; for 0.0333333h; Neat (no solvent);	94%

: 100-66-3
methoxybenzene

: 98-68-0
4-methoxy-phenyl-sulphonyl chloride

Conditions

Conditions	Yield
With sulfuryl dichloride; sulfuric acid In N,N-dimethyl-formamide	88%
With chlorosulfonic acid at 0 - 5℃;	71.32%
With chlorosulfonic acid at 0 - 5℃;	71.42%

: 26905-24-8
1-benzylsulfanyl-4-methoxy-benzene

: 98-68-0
4-methoxy-phenyl-sulphonyl chloride

Conditions

Conditions	Yield
With 1,3-dichloro-5,5-dimethylhydantoin; acetic acid In dichloromethane; water at 0 - 5℃; Inert atmosphere;	86%

: 24197-73-7
S-4-methoxyphenyl benzothioate

: 98-68-0
4-methoxy-phenyl-sulphonyl chloride

Conditions

Conditions	Yield
With trichloroisocyanuric acid; benzyltrimethylammonium chloride; sodium carbonate In water; acetonitrile at 0℃; for 0.333333h;	81%

: 459-64-3
4-methoxybenzenediazonium tetrafluoroborate

: 98-68-0
4-methoxy-phenyl-sulphonyl chloride

Conditions

Conditions	Yield
With thionyl chloride; tris(bipyridine)ruthenium(II) dichloride hexahydrate In water; acetonitrile at 20℃; for 20h; Concentration; Sealed tube; Irradiation;	71%

: 696-63-9
4-Methoxybenzenethiol

: 127-65-1
chloroamine-T

A: N-chloro-N-(4-methylbenzenesulfonyl)-4-methoxybenzenesulfinamide

B: 98-68-0
4-methoxy-phenyl-sulphonyl chloride

Conditions

Conditions	Yield
With N-chloro-succinimide In water; acetonitrile at 35℃; for 0.25h;	A 70% B 27%

4-Methoxybenzenesulfonyl chloride Chemical Properties

IUPAC Name: 4-methoxybenzenesulfonyl chloride
Empirical Formula: C₇H₇ClO₃S
Molecular Weight: 206.6467g/mol
EINECS: 202-692-1
Structure of Benzenesulfonylchloride, 4-methoxy- (CAS NO.98-68-0):

Index of Refraction: 1.535
Molar Refractivity: 46.76 cm³
Molar Volume: 150 cm³
Polarizability: 18.53×10^-24cm³
Surface Tension: 41.4 dyne/cm
Density: 1.376 g/cm³
Flash Point: 144.7 °C
Enthalpy of Vaporization: 53.47 kJ/mol
Melting Point: 39-42 °C(lit.)
Boiling Point: 315.6 °C at 760 mmHg
Vapour Pressure: 0.0008 mmHg at 25°C
Water Solubility: decomposes
Sensitive: Moisture Sensitive
Product Categories: Phenyls & Phenyl-Het;Sulphonyl Chlorides;Benzene derivates;Protection & Derivatization Reagents (for Synthesis);Synthetic Organic Chemistry;Phenyls & Phenyl-Het;Sulphonyl Chlorides;Organic Building Blocks;Sulfonyl Halides;Sulfur Compounds
Canonical SMILES: COC1=CC=C(C=C1)S(=O)(=O)Cl
InChI: InChI=1S/C7H7ClO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3
InChIKey: DTJVECUKADWGMO-UHFFFAOYSA-N

4-Methoxybenzenesulfonyl chloride Safety Profile

Hazard Codes: Corrosive C
Risk Statements: 34-29
R34:Causes burns.
R29:Contact with water liberates toxic gas.
Safety Statements: 26-36/37/39-45-28-27
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S28:After contact with skin, wash immediately with plenty of soap-suds.
S27:Take off immediately all contaminated clothing.
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
F: 10-21
Hazard Note: Corrosive/Moisture Sensitive
HazardClass: 8
PackingGroup: II

4-Methoxybenzenesulfonyl chloride Specification

Benzenesulfonylchloride, 4-methoxy- , its cas register number is 98-68-0. It also can be called 4-Methoxybenzenesulphonyl chloride . Benzenesulfonylchloride, 4-methoxy- (CAS NO.98-68-0) is a white to beige crystalline solid.

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