Tosylchlorid
4-Toluenesulfonyl chloride
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Grundinformationen
- CAS
98-59-9- Standard-SMILES
Cc1ccc(S(=O)(=O)Cl)cc1- InChIKey
YYROPELSRYBVMQ-UHFFFAOYSA-N- Summenformel
- C7H7ClO2S
- Durchschnittliche Molmasse
- 190,65 g/mol
- Monoisotopische Masse
- 189,9855283
Überblick
P-toluene sulfonylchloride appears as a white to gray powdered solid with a distinctive odor. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
Namen und Bezeichner
- Bevorzugter Name
- 4-Toluenesulfonyl chloride
- IUPAC
- 4-methylbenzenesulfonyl chloride
- Lokaler Name
- Tosylchlorid
- Englischer Name
- Tosyl chloride
- Summenformel
- C7H7ClO2S
- Molmasse
- 190.65
Namen und Synonyme
4-Toluenesulfonyl chlorideRefChem:169391P-TOLUENESULFONYL CHLORIDE98-59-9Tosyl chloride4-Methylbenzenesulfonyl chloridep-Tosyl chloride4-methylbenzene-1-sulfonyl chloridep-Toluenesulphonyl chloridep-Tolylsulfonyl chloridep-Toluenesulfochloridep-Toluenesulfonic acid chloride
Weitere Namen anzeigen
TsClTOS-CLPTSCPARA TOLUENE SULFONYL CHLORIDEp-toluenesulfonyl
tosylchloridep-Methylbenzenesulfonyl chloridepara-Toluenesulfonyl chloride4-Tosyl chlorideBenzenesulfonyl chloride, 4-methyl-4-toluene sulfonyl chloridep-Toluene sulphonyl chlorideToluenesulfonyl chloride
Datenbank-Bezeichner
- CAS
98-59-9- PubChem CID
- 7397
- DTXSID
DTXSID1052660- UNII
- 027KYN78B4
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 42,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 209
Experimentelle und physikochemische Eigenschaften
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesSchoenflies notation
LogP
3.49
3.25
Density
1.3 g/cm³
1.33 @25 °C
Color/Form
CRYSTALS
TRICLINIC CRYSTALS FROM ETHER OR PETROLEUM ETHER
Solubility
INSOL IN WATER; FREELY SOL IN ALCOHOL, BENZENE, ETHER
Solubility in water: reaction
Flash Point128 °C c.c.
Boiling Point146 °C @ 15 MM HG
Melting Point
69-71 °C
69-71 °C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 5.7% (53 of 926) of reports.
Danger
H290 (20%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P264+P265, P271, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P333+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 926 reports by companies from 25 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenesulfonyl chloride, 4-methyl-
REACH registered substance: Tosyl chloride (EC: 202-684-8)
4-Toluenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelCorrosive
Fire Hazards
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Hazards Summary
A skin, eye, and respiratory tract irritant; [HSDB] Reacts violently with water evolving hydrochloric acid; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline] Slowly hydrolyzes to strong acids (HCl and p-toluenesulfonic acid); Severely irritating to skin and eyes in animal testing; [AIHA] Contact dermatitis documented in a chemist; [Kanerva, p. 1841]
Chemie und Industrie
Verwendung und Herstellung
Uses
Used to make other organic chemicals; [Hawley] Used to make food additives, foaming agents for plastics and rubber, riboflavin, antithrombotic drugs, and dye condensing agents; [eChemPortal: SIDSUNEP]
ORGANIC SYNTHESIS
Methods of ManufacturingMADE BY TREATING TOLUENE WITH CHLOROSULFONIC ACID.
General Manufacturing Information
Benzenesulfonyl chloride, 4-methyl-: ACTIVE
10 OF 16 MERCURATED SULFONAMIDES TESTED AS BACTERICIDES & FUNGICIDES AGAINST E COLI, RHIZOCTONIA SOLANI, S AUREUS, A NIGER, & CHETOMIUM GLOBOSSUM WERE MORE TOXIC THAN ZINEB. SULFONAMIDES PREPD BY CONDENSING ANILINE BASE WITH P-TOLUENESULFONYL CHLORIDE IN PRESENCE OF PYRIDINE + BENZENE.
Darstellung
synthetischeTosyl chloride is a by-product from the production of ortho-toluenesulfonyl chloride (a precursor for the synthesis of the common food additive and catalyst saccharin), via the chlorosulfonation of toluene:CH3C6H5+ SO2Cl2→ CH3C6H4SO2Cl + HCl
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