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| CAS No.: | 4124-41-8 |
|---|---|
| Name: | P-Toluenesulfonic anhydride |
| Molecular Structure: | |
|
|
|
| Formula: | C14H14O5S2 |
| Molecular Weight: | 326.394 |
| Synonyms: | Benzenesulfonicacid, 4-methyl-, anhydride (9CI);p-Toluenesulfonic anhydride (6CI,7CI,8CI);4-Methylbenzenesulfonic acid anhydride;4-Methylphenylsulfonic anhydride;4-Toluenesulfonic acid anhydride;4-Toluenesulfonic anhydride;Toluene-4-sulfonic acid ahnydride;Toluenesulfonic anhydride;Tosylicanhydride;p-Toluenesulfonic acid anhydride;p-Toluenesulfonyl anhydride; |
| EINECS: | 223-926-9 |
| Density: | 1.361 g/cm3 |
| Melting Point: | 121-127 °C(lit.) |
| Boiling Point: | 478 °C at 760 mmHg |
| Flash Point: | 242.9 °C |
| Appearance: | Off-white to cream powder |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2585 8/PG 3 |
| PSA: | 94.27000 |
| LogP: | 4.55920 |
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Chemistry
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IUPAC Name: (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate
Molecular Formula: C14H14O5S2
Molecular Weight: 326.39 g/mol
Canonical SMILES: O(S(c1ccc(C)cc1)(=O)=O)S(c1ccc(cc1)C)(=O)=O
InChI: InChI=1/C14H14O5S2/c1-11-3-7-13(8-4-11)20(15,16)19-21(17,18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
Mol File: 4124-41-8.mol
EINECS: 223-926-9
Product Categories: Protection & Derivatization Reagents (for Synthesis); Synthetic Organic Chemistry;Organic Building Blocks; Sulfonic/Sulfinic Acid Anhydrides; Sulfur Compounds
Sensitive: Moisture Sensitive
XLogP3-AA: 3.1
H-Bond Donor: 0
H-Bond Acceptor: 5
Rotatable Bond Count: 4
Exact Mass: 326.028265
MonoIsotopic Mass: 326.028265
Topological Polar Surface Area: 77.5
Heavy Atom Count: 21
Complexity: 475
Index of Refraction: 1.582
Molar Refractivity: 80.08 cm3
Molar Volume: 239.7 cm3
Polarizability: 31.7×10-24cm3
Surface Tension: 48.7 dyne/cm
Density: 1.361 g/cm3
Flash Point: 242.9 °C
Enthalpy of Vaporization: 71.37 kJ/mol
Boiling Point: 478 °C at 760 mmHg
Melting Point: 121-127 °C(lit.)
storage temperature: 2-8 °C
Vapour Pressure of 4-Methylbenzenesulfonic anhydride(CAS NO.4124-41-8): 7.72E-09 mmHg at 25 °C
Safety Profile
Hazard Codes: 
C
Risk Statements: 34
R34: Causes burns.
Safety Statements: 26-36/37/39-45
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.)
Transport Information: UN 2585
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 8
PackingGroup of 4-Methylbenzenesulfonic anhydride(CAS NO.4124-41-8): II
Specification
1. 4-Methylbenzenesulfonic anhydride (CAS NO.4124-41-8), its Synonyms are Toluene-p-sulphonic anhydride ; P-toluenesulphonic anhydride ; P-toluenesulphonic anhydride ; Toluene-4-sulphonic anhydride ; 1,3-Bis(4-methylphenyl)-1,1,3,3-tetraoxo-1lambda6,3lambda6-dithioxane ; 4-Toluenesulphonic anhydride ; Tosicanhydride ; 4-Toluenesulphonic acid anhydride .
2. 4-Methylbenzenesulfonic anhydride is off-white to cream powder. Its preparation product is Quinolin-2-amine .