2,4,6-Triisopropylbenzolsulfonylchlorid

2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride

HCID 81042CAS 6553-96-4

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(C)c1cc(C(C)C)c(S(=O)(=O)Cl)c(C(C)C)c1
InChIKey: JAPYIBBSTJFDAK-UHFFFAOYSA-N
Summenformel: C15H23ClO2S
Durchschnittliche Molmasse: 302,9 g/mol
Monoisotopische Masse: 302,11072866

Namen und Bezeichner

Bevorzugter Name: 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride
IUPAC: 2,4,6-tri(propan-2-yl)benzenesulfonyl chloride
Lokaler Name: 2,4,6-Triisopropylbenzolsulfonylchlorid
Englischer Name: 2,4,6-Triisopropylbenzenesulfonyl chloride
Summenformel: C15H23ClO2S
Molmasse: 302.86

Namen und Synonyme

2,4,6-Triisopropylbenzenesulfonyl chloride6553-96-42,4,6-Triisopropylbenzenesulphonyl chloride4QZ3QZX6G4NSC-102803DTXSID302158272,4,6-TRIS(1-METHYLETHYL)BENZENESULFONYL CHLORIDERefChem:821302,4,6-TIPBSDTXCID60138318229-479-62,4,6-triisopropylbenzene-1-sulfonyl chloride

Weitere Namen anzeigen

TPSCLTPS2,4,6-Triisopropylphenylsulfonyl chlorideTIMTEC-BB SBB001244LABOTEST-BB LT00233201TRI ARYL SULFONIUM CHLORIDE

Trisyl chlorideMFCD00007433Benzenesulfonyl chloride, 2,4,6-tris(1-methylethyl)-2,4,6-tri(propan-2-yl)benzenesulfonyl chloride2,4,6-tris(propan-2-yl)benzene-1-sulfonyl chloride2,4,6-TriisopropylbenzenesulfonylchlorideBenzenesulfonyl chloride, 2,4,6-triisopropyl-C15H23ClO2S

Datenbank-Bezeichner

CAS: 6553-96-4
PubChem CID: 81042
DTXSID: DTXSID30215827
UNII: 4QZ3QZX6G4
EC Number: 229-479-6
Nikkaji: J124.143E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,3
Polarare Oberfläche (TPSA): 42,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 19
Formalladung: 0
Komplexität: 363

Physikochemische Eigenschaften

Schmelzpunkt: 92 · 92-94 °C (lit.)
Siedepunkt: 378 C · 378C
Dichte: 1.1012 · 1.1012 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: 50 mg/mL, · ethanol: 50 mg/mL, clear
Aggregatzustand: Crystalline Solid
Farbe: White to slightly beige
Wasserlöslichkeit: decomposes
BRN: 1218575 · 1218575
InChI: InChI=1S/C15H23ClO2S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3
InChIKey: JAPYIBBSTJFDAK-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=C(C(C)C)C=C(C(C)C)C=C1C(C)C
CAS Datenbank: 6553 · 6553-96-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 6 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzenesulfonyl chloride, 2,4,6-tris(1-methylethyl)-

Status: Active Update: 09-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/31763

2,4,6-Triisopropylbenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

F: 21
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29049020
risk_code: 34-29
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45-27
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,4,6-Triisopropylbenzenesulfonyl chloride is used for the synthesis of glycerophospholipids as a condensing agent and in the analysis of phosphonolipids in egg yolk by HPLC/MS technique. It acts as a coupling reagent for the synthesis of oligonucleotides and as sulfonates of pyrimidine nucleosides. It also serves as a condensing agent in the synthesis of hydrogen-phosphonate diesters.