Grundinformationen
- Standard-SMILES
O=S(=O)(Cl)c1c(Cl)cc(Cl)cc1Cl- InChIKey
WHJAQKAAIOHCGN-UHFFFAOYSA-N- Summenformel
- C6H2Cl4O2S
- Durchschnittliche Molmasse
- 280 g/mol
- Monoisotopische Masse
- 277,85296102
Namen und Bezeichner
- Bevorzugter Name
- 2,4,6-Trichlorobenzenesulfonyl chloride
- IUPAC
- 2,4,6-trichlorobenzenesulfonyl chloride
- Englischer Name
- 2,4,6-TRICHLOROBENZENESULFONYL CHLORIDE
- Summenformel
- C6H2Cl4O2S
- Molmasse
- 279.96
Namen und Synonyme
2,4,6-Trichlorobenzenesulfonyl chloride51527-73-2DTXSID10334621RefChem:82095DTXCID20285711624-725-2WHJAQKAAIOHCGN-UHFFFAOYSA-N2,4,6-trichlorobenzene-1-sulfonyl chlorideMFCD00052973Benzenesulfonyl chloride, 2,4,6-trichloro-2,4,6-trichlorophenylsulfonyl chloride2,4,6-Trichlorobenzenesulphonyl chloride
Weitere Namen anzeigen
2,4,6-trichlorobenzenesulfonylacylchloro2,4,6-Trichlorobenzenesulphonylchloride98%2,4,6-Trichlorobenzenesulfonyl chloride 96%2,4,6-Trichlorobenzenesulphonyl chloride 98%
2,4,6-trichlorobenzenesulfonic acid chloride3LBA3D6P6QSCHEMBL181647BCA52773SBB054996chloro(2,4,6-trichlorophenyl)sulfoneAKOS000140376AB92863
Datenbank-Bezeichner
- CAS
51527-73-2- PubChem CID
- 521335
- DTXSID
DTXSID10334621- UNII
- 3LBA3D6P6Q
- EC Number
- 624-725-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 42,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 261
Physikochemische Eigenschaften
- Schmelzpunkt
- 44 · 44-48 °C (lit.)
- Siedepunkt
- 341 · 341.0±42.0 °C(Predicted)
- Dichte
- 1.728 · 1.728±0.06 g/cm3(Predicted)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow to Light orange
- BRN
- 1534870 · 1534870
- InChI
- 1S/C6H2Cl4O2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H
- InChIKey
- WHJAQKAAIOHCGN-UHFFFAOYSA-N
- SMILES
- Clc1cc(Cl)c(c(Cl)c1)S(Cl)(=O)=O
- CAS Datenbank
- 51527 · 51527-73-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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 46 reports by companies from 4 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 2904990090
- risk_code
- 34
- hazard_code
- C,F+
- hazard_note
- Corrosive/Moisture Sensitive
- safety_code
- 26-36/37/39-45-39-37-36
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Skin Corr. 1B
Chemie und Industrie
Anwendungen
Verwenden2,4,6-Trichlorobenzenesulfonyl chloride may be used to synthesize 2,4,6-trichlorothiophenol and N-(2-hydroxymethylphenyl)-2,4,6-trichlorobenzenesulfonamide.
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