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| CAS No.: | 657-84-1 | |
|---|---|---|
| Name: | Sodium p-toluenesulfonate | |
| Molecular Structure: | ||
|
|
||
| Formula: | C7H7NaO3S | |
| Molecular Weight: | 194.187 | |
| Synonyms: | 4-Toluenesulfonic acid sodium salt;Naxonate ST;Sodium 4-methylbenzenesulfonate;Sodium 4-toluenesulfonate;Sodiump-methylbenzenesulfonate;Sodium p-tolyl sulfonate;Sodium tolenesulfonate;Sodium tosylate; | |
| EINECS: | 211-522-5 | |
| Density: | 1.55 g/cm3 (20℃) | |
| Melting Point: | 106-107oC | |
| Boiling Point: | 140oC at 20 MM HG | |
| Flash Point: | 500 °C | |
| Solubility: | Soluble in water | |
| Appearance: | white powder | |
| Hazard Symbols: |
 Xi
|
|
| Risk Codes: | 36/37/38 | |
| Safety: | 26-36 | |
| PSA: | 62.75000 | |
| LogP: | 2.32250 | |
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- 657-84-1
sodium tosylate
| Conditions | Yield |
|---|---|
| With sodium carbonate In water at 5 - 90℃; for 4h; | 99% |
| Conditions | Yield |
|---|---|
| With trifluoroacetic anhydride; sodium iodide In acetone for 13h; Ambient temperature; | A 6% B 84% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol; dichloromethane at 20℃; for 16h; | 82% |
- 67674-48-0
toluene-4-sulfonic acid 2,2,2-trifluoro-1-trifluoromethyl-ethyl ester
- 657-84-1
sodium tosylate
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol; dichloromethane at 20℃; for 16h; | 82% |
- 57392-61-7
toluene-4-sulfonic acid 2,2,2-trichloro-ethyl ester
- 657-84-1
sodium tosylate
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol; dichloromethane at 20℃; for 16h; | 80% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol; dichloromethane at 20℃; for 16h; | 72% |
| Conditions | Yield |
|---|---|
| In ethyl acetate at 70℃; for 5.75h; Product distribution; | A 71% B 46% |
- 13652-13-6
toluene-4-sulfonic acid 2,2,2-trifluoro-1-phenyl-ethyl ester
- 657-84-1
sodium tosylate
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol; dichloromethane at 20℃; for 16h; | 65% |
- 1794-84-9
monochloronitromethane
- 824-79-3
sodium 4-methylbenzenesulfinate
A
- 103-19-5
di(p-tolyl) disulfide
B
- 51351-89-4
nitromethyl p-tolyl sulfone
C
- 657-84-1
sodium tosylate
| Conditions | Yield |
|---|---|
| With nitromethane In N,N-dimethyl-formamide for 24h; Ambient temperature; | A 2% B 7% C 64% D 26% |
- 67-56-1
methanol
- 18137-96-7
nitromethane anion
- 455-16-3
p-toluenesulfonyl fluoride
A
- 657-84-1
sodium tosylate
B
- 80-48-8
methyl p-toluene sulfonate
| Conditions | Yield |
|---|---|
| at 20℃; for 20h; | A 54% B 37% |
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Chemistry
Structure of Sodium p-toluenesulfonate (CAS NO.657-84-1):
IUPAC Name: 4-Methylbenzenesulfonic acid; sodium
Molecular Formula: C7H7NaO3S
Molar mass: 194.18 g/mol
Flash Point: 500 °C
Water Solubility: soluble
Stability: stable. incompatible with strong oxidizing agents.
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 195.009184
MonoIsotopic Mass: 195.009184
Topological Polar Surface Area: 54.4
Heavy Atom Count: 12
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.[Na]
InChI: InChI=1S/C7H8O3S.Na/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);
InChIKey: CUYTYLVEYFUAAX-UHFFFAOYSA-N
EINECS: 211-522-5
Uses
Sodium p-toluenesulfonate (CAS NO.657-84-1) is mainly used in industrial organic synthesis. It is also used for the synthesis of doxycycline, dipyridamole, naproxen, and for the production of amoxicillin, cefadroxil intermediate in medicine.
Toxicity Data With Reference
| 1. | ivn-mus LD50:1700 mg/kg | BJPCAL British Journal of Pharmacology and Chemotherapy. 14 (1959),536. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 1
RTECS: XT7350000
HS Code: 29041000
Moderately toxic by intravenous route. When heated to decomposition it emits toxic fumes of SOx and Na2O. See also SULFONATES.
Specification
Sodium p-toluenesulfonate (CAS NO.657-84-1) is also named as 4-Toluenesulfonic acid sodium salt ; AI3-50010 ; Benzenesulfonic acid, 4-methyl-, sodium salt ; HSDB 5738 ; NSC 203318 ; Naxonate hydrotrope ; Sodium 4-methylbenzenesulfonate ; Sodium p-methylbenzenesulfonate ; Sodium p-tolyl sulfonate ; Sodium p-tolylsulfonate ; Sodium paratoluene sulphonate ; Sodium toluene-p-sulphonate ; Sodium toluenesulfonate ; Sodium tosylate ; Tosylate, sodium ; p-Toluenesulfonic acid sodium salt ; para-Toluenesulfonic acid, sodium salt . Sodium p-toluenesulfonate (CAS NO.657-84-1) is white powder.