对甲苯磺酸(无水)
p-Toluenesulfonic Acid
CAS: 104-15-4
Molecular Formula: C7H8O3S
对甲苯磺酸(无水) - Names and Identifiers
| Name | p-Toluenesulfonic Acid |
| Synonyms | TL65 TL65LS PTSA 70 PTS ACID Tosic acid toluene-4-sulphonic Toluene-p-sulfonate p-tolylsulfonicacid Toluenesulfonic acid p-Toluenesulfonic Acid P-Toluene Sulfonic Acid ParaTolune Sulfonic Acid P-Toluene Sulphonic Acid para toluene sulfonic acid PARATOLUENE SULPHONIC ACID Methylbenzenesulfonic acid para toluene sulphonic acid 4-methylbenzenesulfonic acid |
| CAS | 104-15-4 |
| EINECS | 203-180-0 |
| InChI | InChI=1/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10) |
对甲苯磺酸(无水) - Physico-chemical Properties
| Molecular Formula | C7H8O3S |
| Molar Mass | 172.2 |
| Density | 1.07 |
| Melting Point | 106~107℃ |
| Boling Point | 116 °C |
| Flash Point | 41 °C |
| Water Solubility | soluble |
| Vapor Presure | 69.8Pa at 20℃ |
| Appearance | Solution |
| Color | Clear colorless to light yellow |
| pKa | -0.43±0.50(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.3825-1.3845 |
| Physical and Chemical Properties | Characteristics colorless monoclinic plate or columnar crystals. melting point 106~107 ℃ boiling point 140 ℃ solubility: soluble in ethanol and ether, slightly soluble in water and hot benzene. |
| Use | Used in pharmaceuticals, pesticides, dyes and detergents, also used in plastics and printing coatings |
对甲苯磺酸(无水) - Risk and Safety
| Hazard Symbols | C - Corrosive |
| Risk Codes | R34 - Causes burns R10 - Flammable |
| Safety Description | S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S23 - Do not breathe vapour. |
| UN IDs | 2585 |
| HS Code | 29163990 |
| Hazard Class | 8 |
| Packing Group | III |
对甲苯磺酸(无水) - Upstream Downstream Industry
| Raw Materials | Methyl alcohol Sulfuric acid |
| Downstream Products | dodecyl benzenesulfonic acid, sodium salt |
对甲苯磺酸(无水) - Nature
Open Data Verified Data
colorless monoclinic plate-like or columnar crystals, flammable. Soluble in ethanol and ether, slightly soluble in water and hot benzene. Sometimes with one or four crystal water. The melting point of the anhydrate was 106-107 °c. Boiling Point (2. 67kPa) 140 ℃.
Last Update：2024-01-02 23:10:35
对甲苯磺酸(无水) - Preparation Method
Open Data Verified Data
prepared by sulfonation using toluene as a raw material and heating and boiling with sulfuric acid. The mother liquor of the production process contains uncrystallized methyl benzene sulfonic acid and free sulfuric acid. After neutralization, sodium methylbenzenesulfonate can be produced.
Last Update：2022-01-01 10:55:23
对甲苯磺酸(无水) - Use
Open Data Verified Data
used in the preparation of cresol and Pharmaceutical (such as the preparation of doxycycline), pesticides (such as the preparation of dicofol), dyes and detergents and other industries. It is also used in the plastics and printing coatings industry.
Last Update：2022-01-01 10:55:23
对甲苯磺酸(无水) - Safety
Open Data Verified Data
-
li has moderate toxicity. Irritation of the skin, eyes and mucous membranes. Rat oral LD50 2480mg/kg, mouse oral LD50 400mg/kg. Its sodium salt is non-toxic. Toluene used in the production process is toxic and has damage to the liver and hematopoietic system as well as the nervous system of the human body. Concentrated sulfuric acid is extremely corrosive, so the production system equipment should maintain good tightness, to prevent leakage, the operator should wear protective equipment.
- the use of plastic bags plus wooden boxes packaging, storage in a cool, ventilated, dry place. According to the provisions of the storage and transportation of toxic chemicals.
Last Update：2022-01-01 10:55:24
对甲苯磺酸(无水) - Reference Information
| LogP | 0.41 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Overview | p-toluenesulfonic acid (Molecular Structure: p-CH3C6H4SO3H, also written in TsOH, English P-Toluene Sulfonic acid) abbreviated PTS, is a non-oxidizing organic strong acid, white needle-like or powder-like crystals, soluble in water, alcohols, ethers and other polar solvents. Easy deliquescence, easy to make wood, cotton fabric dehydration and carbonization, difficult to dissolve in benzene and toluene. P-cresol is generated during alkali fusion. Common is p-toluenesulfonic acid monohydrate (TsOH. H2O) or tetrahydrate (TsOH. 4H2O). P-toluenesulfonic acid is industrially prepared by sulfonating toluene with concentrated sulfuric acid. The obtained P-toluenesulfonic acid often contains benzene sulfonic acid and sulfuric acid impurities, which can be purified by recrystallizing the impure sample in concentrated hydrochloric acid and then azeotropic drying. P-toluenesulfonic acid is widely used in the synthesis of pharmaceuticals, pesticides, polymerization stabilizers and Organic Synthesis (esters, etc.) of the catalyst, coating intermediates and resin curing agents. It is a commonly used acid catalyst in organic synthesis. With it and sodium hydroxide neutralization of p-Toluenesulfonyl sodium sulfonate, and phosphorus pentachloride, P-Toluenesulfonyl chloride can be prepared. The latter is used in nucleophilic substitution reactions and also as a protecting group for the hydroxyl group of the alcohol. p-CH3C6H4SO3Na PCl5 → p-CH3C6H4SO2Cl p-toluenesulfonic acid also catalyzes the use of dihydrofuran protecting groups on alcohols, esterification of carboxylic acids, transesterification, acetal formation of aldehydes, etc. |
| reference quality standard | project/index industrial grade pharmaceutical grade refined reagent grade (chemically pure) content (using C7H8O3S · H2O) calculated ≥ 90-93.096.097.098.0 free acid (H2SO4) ≤%3.00.70.50.1 water (excluding crystal water) ≤% 4.52.3/51.5 iron (based on Fe ++) ≤ ppm50303010 burning residue ≤%/0.20.20.02 melting point (°C)/102-105 ethanol dissolution test/qualified and qualified water dissolution test/qualified and qualified |
| Use | used as a chemical reagent, also used in dyes, organic synthesis used in medicine (such as doxycycline), pesticides (such as Dicofol), dyes and other intermediates. Also used in detergents, plastics, coatings and other aspects. used in pharmaceuticals, pesticides, dyes and detergents, also used in plastics and printing coatings widely used in the synthesis of pharmaceuticals, pesticides, polymerization stabilizers and Organic Synthesis (esters, etc.) the catalyst. It is also used as an intermediate for medicine, coating and curing agent for resin. |
| production method | obtained by hydrolysis of p-Toluenesulfonyl chloride. Toluene can also be used as a raw material and obtained by sulfonation with sulfuric acid. |
| category | corrosive article |
| toxicity grade | low toxicity |
| Acute toxicity | oral-rat LD50: 2480 mg/kg |
| flammability hazard characteristics | flammable; Toxic sulfur oxide gas emitted from the fire |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from alkali |
| fire extinguishing agent | water mist, carbon dioxide, foam |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-10 22:29:15
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View History
对甲苯磺酸(无水)
Methylethylnitrosoamine
2,3,4-Triphydroxy benzophenone
3-甲苯基丙烯腈
gamma-pyrone
EINECS 213-458-3
乙腈中甲氧咪草烟
Methylethylnitrosoamine
2,3,4-Triphydroxy benzophenone
3-甲苯基丙烯腈
gamma-pyrone
EINECS 213-458-3
乙腈中甲氧咪草烟
Raw Materials for 对甲苯磺酸(无水)
Downstream Products for 对甲苯磺酸(无水)