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CAS No.: | 657-84-1 | |
---|---|---|
Name: | Sodium p-toluenesulfonate | |
Article Data: | 32 | |
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 |
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% |
toluene-4-sulfonic acid 2,2,2-trifluoro-1-trifluoromethyl-ethyl ester
sodium tosylate
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; dichloromethane at 20℃; for 16h; | 82% |
toluene-4-sulfonic acid 2,2,2-trichloro-ethyl ester
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% |
toluene-4-sulfonic acid 2,2,2-trifluoro-1-phenyl-ethyl ester
sodium tosylate
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; dichloromethane at 20℃; for 16h; | 65% |
monochloronitromethane
sodium 4-methylbenzenesulfinate
A
di(p-tolyl) disulfide
B
nitromethyl p-tolyl sulfone
C
sodium tosylate
Conditions | Yield |
---|---|
With nitromethane In N,N-dimethyl-formamide for 24h; Ambient temperature; | A 2% B 7% C 64% D 26% |
methanol
nitromethane anion
p-toluenesulfonyl fluoride
A
sodium tosylate
B
methyl p-toluene sulfonate
Conditions | Yield |
---|---|
at 20℃; for 20h; | A 54% B 37% |
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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
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.
1. | ivn-mus LD50:1700 mg/kg | BJPCAL British Journal of Pharmacology and Chemotherapy. 14 (1959),536. |
Reported in EPA TSCA Inventory.
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.
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.