4-Aminophenyl trifluoromethyl sulphone

HCID 136315

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Grundinformationen

CAS: 473-27-8
Standard-SMILES: Nc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIKey: GNVFCXUZQGCXPB-UHFFFAOYSA-N
Summenformel: C7H6F3NO2S
Durchschnittliche Molmasse: 225,19 g/mol
Monoisotopische Masse: 225,00713409

Namen und Bezeichner

Bevorzugter Name: 4-Aminophenyl trifluoromethyl sulphone
IUPAC: 4-(trifluoromethylsulfonyl)aniline
Englischer Name: 4-(Trifluoromethylsulfonyl)aniline
Summenformel: C7H6F3NO2S
Molmasse: 225.19

Namen und Synonyme

473-27-84-(Trifluoromethylsulfonyl)aniline4-Aminophenyl trifluoromethyl sulphoneDTXSID20197087RefChem:518270DTXCID30119578626-476-54-((Trifluoromethyl)sulfonyl)aniline4-[(trifluoromethyl)sulfonyl]aniline4-trifluoromethanesulfonylaniline4-Aminophenyl trifluoromethyl sulfoneMFCD00182685

Weitere Namen anzeigen

TRIFLUOROMETHYLSULFONYL ANILINE4-(trifluoroMethane)sulfonylaniline4-(Trifluoromethylsulfonyl)aniline 95%

4-(trifluoromethylsulphonyl)aniline4-[(Trifluoromethyl)sulphonyl]aniline4-[(Trifluoromethyl)sulfonyl]phenylamine4-(trifluoromethylsulfonyl)benzenamine4-(trifluoromethanesulfonyl)aniline4-Triflylaniline4-trifluoromethanesulfonyl-aniline(4-triflylphenyl)amine

Datenbank-Bezeichner

CAS: 473-27-8
PubChem CID: 136315
DTXSID: DTXSID20197087
EC Number: 626-476-5
Nikkaji: J597.153E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 68,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 285

Physikochemische Eigenschaften

Schmelzpunkt: 96 °C · 96 °C (lit.)
Siedepunkt: 317.8 · 317.8±42.0 °C(Predicted)
Dichte: 1.502 · 1.502±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: powder
pka: -0.01 · -0.01±0.10(Predicted)
Farbe: Faint brown
InChI: InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-5(11)2-4-6/h1-4H,11H2
InChIKey: GNVFCXUZQGCXPB-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(S(C(F)(F)F)(=O)=O)C=C1
CAS Datenbank: 473 · 473-27-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.