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| CAS No.: | 98-68-0 |
|---|---|
| Name: | 4-Methoxybenzenesulfonyl chloride |
| Article Data: | 80 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7ClO3S |
| Molecular Weight: | 206.65 |
| 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; |
| EINECS: | 202-692-1 |
| Density: | 1.376 g/cm3 |
| Melting Point: | 39-42 °C(lit.) |
| Boiling Point: | 315.6 °C at 760 mmHg |
| Flash Point: | 144.7 °C |
| Solubility: | decomposes with water |
| Appearance: | white to beige crystalline solid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-29 |
| Safety: | 26-36/37/39-45-28-27 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 51.75000 |
| LogP: | 2.70350 |
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| 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% |
- 98-68-0
4-methoxy-phenyl-sulphonyl chloride
| 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 | Yield |
|---|---|
| With hydrogenchloride; N-chloro-succinimide In acetonitrile at 10℃; | 97.7% |
| 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% |
| 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% |
| 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 | 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 | Yield |
|---|---|
| With trichloroisocyanuric acid; benzyltrimethylammonium chloride; sodium carbonate In water; acetonitrile at 0℃; for 0.333333h; | 81% |
| Conditions | Yield |
|---|---|
| With thionyl chloride; tris(bipyridine)ruthenium(II) dichloride hexahydrate In water; acetonitrile at 20℃; for 20h; Concentration; Sealed tube; Irradiation; | 71% |
| Conditions | Yield |
|---|---|
| With N-chloro-succinimide In water; acetonitrile at 35℃; for 0.25h; | A 70% B 27% |
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Chemistry
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
Safety Profile
Hazard Codes: 
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
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.