Grundinformationen
- Standard-SMILES
O=S(=O)(Cl)c1ccccc1C(F)(F)F- InChIKey
ZIZGWNOAHUCACM-UHFFFAOYSA-N- Summenformel
- C7H4ClF3O2S
- Durchschnittliche Molmasse
- 244,62 g/mol
- Monoisotopische Masse
- 243,95726271
Namen und Bezeichner
- Bevorzugter Name
- 2-Trifluoromethylbenzenesulphonyl chloride
- IUPAC
- 2-(trifluoromethyl)benzenesulfonyl chloride
- Englischer Name
- 2-(Trifluoromethyl)benzenesulfonyl chloride
- Summenformel
- C7H4ClF3O2S
- Molmasse
- 244.62
Namen und Synonyme
2-(Trifluoromethyl)benzenesulfonyl chloride776-04-52-Trifluoromethylbenzenesulphonyl chlorideDTXSID00228262EC 700-328-0RefChem:89511DTXCID20150753700-328-0ZIZGWNOAHUCACM-UHFFFAOYSA-N2-(Trifluoromethyl)Benzene-1-Sulfonyl Chloride2-Trifluoromethylbenzenesulfonyl chlorideBenzenesulfonyl chloride, 2-(trifluoromethyl)-
Weitere Namen anzeigen
BUTTPARK 97\57-90AKOS BBS-000069722-(Trifluoromethyl)Benz2-(trifluoroMethyl)benzene2-(Chlorosulphonyl)benzotrifluoride2-(TRIFLUOROMETHYL)BENZENESULFONYL CHLOR2-(TrifluoroMethyl)benzenesulfonyl chlorid2-(rifluoromethyl)benzenesulfonyl chloride2-(trifluoroMethyl)benzene sulfonyl chlorie
MFCD00051696o-(trifluoromethyl)benzenesulfonyl chloride2-(trifluoromethyl)benzenesulphonyl chloride2-(trifluoromethyl)-benzenesulfonyl chloride2-(trifluoromethyl)benzene-1-sulfonylchloridechloro[2-(trifluoromethyl)phenyl]sulfone2-(trifluoromethyl)phenylsulfonyl chloride2-(trifluoromethyl) benzenesulfonyl chloride
Datenbank-Bezeichner
- CAS
776-04-5- PubChem CID
- 136616
- DTXSID
DTXSID00228262- UNII
- RH4NT3SSP4
- EC Number
- 616-480-5、700-328-0
- Nikkaji
- J1.943.156H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 42,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 293
Experimentelle und physikochemische Eigenschaften
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
Physikochemische Eigenschaften
- Schmelzpunkt
- 25 °C · 25°C
- Siedepunkt
- 133 · 133-135 °C14 mm Hg(lit.)
- Dichte
- 1.585 g/mL · 1.585 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.503(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow to Light orange
- Wichte
- 1.585 · 1.585
- BRN
- 2651854 · 2651854
- InChI
- InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-4-2-1-3-5(6)7(9,10)11/h1-4H
- InChIKey
- ZIZGWNOAHUCACM-UHFFFAOYSA-N
- SMILES
- C1(S(Cl)(=O)=O)=CC=CC=C1C(F)(F)F
- CAS Datenbank
- 776 · 776-04-5(CAS DataBase Reference)
- NIST chemische Informationen
- o-Trifluoromethylbenzenesulfonyl chloride(776-04-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 88 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 03-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19379
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29049090
- risk_code
- 34
- hazard_code
- C
- hazard_note
- Corrosive/Moisture Sensitive
- safety_code
- 23-26-27-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
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