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| CAS No.: | 98-59-9 |
|---|---|
| Name: | Tosyl chloride |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7ClO2S |
| Molecular Weight: | 190.65 |
| Synonyms: | 4-Methylbenzene-1-sulfonyl chloride;4-Methylbenzenesulfonylchloride;4-Methylphenylsulfonyl chloride;4-Toluenesulfonyl chloride;4-Toluensulfonyl chloride;4-Toluolsulfonyl chloride;4-Tosyl chloride;NSC175822;Toluenesulfonyl chloride;p-Methylbenzenesulfonylchloride;p-Methylphenylsulfonyl chloride;p-Toluenesulfochloride;p-Toluenesulfonic acid chloride;p-Toluenesulfonic chloride;p-Toluenesulphonylchloride;p-Tolylsulfonyl chloride;p-Tosyl chloride;p-Toluenesulfonylchloride (8CI); |
| EINECS: | 202-684-8 |
| Density: | 1.339 g/cm3 |
| Melting Point: | 65-69 °C(lit.) |
| Boiling Point: | 265.3 °C at 760 mmHg |
| Flash Point: | 114.3 °C |
| Solubility: | hydrolyses in water |
| Appearance: | White to yellow solid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-29 |
| Safety: | 26-36/37/39-45-27 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 42.52000 |
| LogP: | 3.00330 |
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| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; zirconium(IV) chloride In water; acetonitrile at 25℃; for 0.0166667h; | 99% |
| With N,N,N',N'-tetrachlorobenzene-1,3-disulphonamide; tetrabutyl-ammonium chloride; water In acetonitrile at 0 - 20℃; for 0.333333h; | 98% |
| With trichloroisocyanuric acid; water In acetonitrile at 0 - 20℃; for 0.333333h; | 98% |
- 15404-00-9
triethylammonium toluene-p-sulfonate
- 98-59-9
p-toluenesulfonyl chloride
| Conditions | Yield |
|---|---|
| With sulfuryl dichloride; triphenylphosphine In dichloromethane for 1h; Ambient temperature; | 99% |
| Conditions | Yield |
|---|---|
| Stage #1: p-toluidine With hydrogenchloride; acetic acid; sodium nitrite In water; acetonitrile at 0 - 5℃; Stage #2: With sulfur dioxide; copper dichloride In water; acetonitrile at 20℃; for 16h; | 99% |
| Stage #1: p-toluidine With hydrogenchloride; sodium nitrite Stage #2: With sulfur dioxide; copper(l) chloride In acetone |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; zirconium(IV) chloride In water; acetonitrile at 25℃; for 0.0166667h; | 98% |
| With Oxone; potassium chloride In water at 20℃; for 0.166667h; | 96% |
| With N,N,N',N'-tetrachlorobenzene-1,3-disulphonamide; tetrabutyl-ammonium chloride; water In acetonitrile at 0 - 20℃; for 0.333333h; | 95% |
| Conditions | Yield |
|---|---|
| With 1,3,5-trichloro-2,4,6-triazine; triethylamine In acetone for 20h; Heating; | 96% |
| Stage #1: toluene-4-sulfonic acid With potassium phosphate; bis(trichloromethyl) carbonate In dichloromethane at 0 - 5℃; for 0.0833333h; Stage #2: With triethylamine In dichloromethane at 20℃; for 0.5h; | 96% |
| 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% |
- 146404-41-3
C15H17ClN2O2S
A
- 32327-70-1
1-chloro-4-(2-chloroethyl)benzene
B
- 98-59-9
p-toluenesulfonyl chloride
| Conditions | Yield |
|---|---|
| With N-chloro-succinimide In tetrahydrofuran for 16h; Ambient temperature; Irradiation; | A 95% B n/a |
| Conditions | Yield |
|---|---|
| With 1,3,5-trichloro-2,4,6-triazine; 18-crown-6 ether In acetone for 20h; Heating; | 94% |
| Stage #1: sodium tosylate With potassium phosphate; bis(trichloromethyl) carbonate In dichloromethane at 0 - 5℃; for 0.0833333h; Stage #2: With triethylamine In dichloromethane at 20℃; for 0.5h; | 93% |
| With trichlorophosphate In sulfolane; acetonitrile at 68 - 72℃; for 0.666667h; | 87% |
| Conditions | Yield |
|---|---|
| With chlorine In water; toluene Product distribution / selectivity; | 93.9% |
- 37091-73-9
2-chloro-1,3-dimethylimidazolinium chloride
- 98-59-9
p-toluenesulfonyl chloride
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In toluene | 93.2% |
- 4358-63-8
phenyl benzenesulfonate
- 5720-05-8
4-methylphenylboronic acid
- 98-59-9
p-toluenesulfonyl chloride
| Conditions | Yield |
|---|---|
| With phenylchlorosulfate; C43H43NO3PPdS; sodium carbonate In acetone at 20 - 50℃; Inert atmosphere; Sealed tube; | 93% |
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Chemistry
IUPAC Name: 4-Methylbenzenesulfonyl chloride
Following is the structure of Tosyl chloride (CAS NO.98-59-9):
Empirical Formula: C7H7ClO2S
Molecular Weight: 190.6473
EINECS: 202-684-8
Index of Refraction: 1.545
Molar Refractivity: 45.02 cm3
Molar Volume: 142.3 cm3
Storage temp.: Store at RT.
Water Solubility: hydrolyses
Density: 1.339 g/cm3
Flash Point: 114.3 °C
Melting point: 65-69 °C(lit.)
Surface Tension: 41 dyne/cm
Enthalpy of Vaporization: 48.3 kJ/mol
Boiling Point: 265.3 °C at 760 mmHg
Vapour Pressure: 0.0151 mmHg at 25 °C
Appearance: White to yellow solid
Solubility of Tosyl chloride (CAS NO.98-59-9): Methylene chloride: 0.2 g/mL, clear
Product Categories of Tosyl chloride (CAS NO.98-59-9): Benzene derivatives; FINE Chemical & INTERMEDIATES; Protection & Derivatization Reagents (for Synthesis); Sulfur Compounds (for Synthesis); Synthetic Organic Chemistry
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)Cl
InChI: InChI=1S/C7H7ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
InChIKey: YYROPELSRYBVMQ-UHFFFAOYSA-N
Uses
Tosyl chloride (CAS NO.98-59-9) can be used as analytics reagents,and organic synthesis etc.
Safety Profile
Hazard Codes: 
C
Risk Statements 34-29
R34:Causes burns.
R29:Contact with water liberates toxic gas.
Safety Statements 26-36/37/39-45-27
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.)
S27:Take off immediately all contaminated clothing.
RIDADR: UN 3261 8/PG 2
WGK Germany: 1
F: 9-21
Hazard Note: Corrosive
HazardClass: 8
PackingGroup: II
HS Code: 29049020
Hazardous Substances Data: 98-59-9(Hazardous Substances Data)
Specification
Tosyl chloride , its cas register number is 98-59-9. It also can be called 4-Toluene sulfochloride ; 4-Methylbenzenesulfonyl chloride ; p-Toluenesulfonyl chloride ; Toluene-4-sulfonyl chloride ; 4-Toluolsulfonyl chloride ; and p-Tosyl Chloride .