Sodium p-toluenesulfonate

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.

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 SO_x 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.