3',5'-Bis(trifluoromethyl)acetanilide

HCID 723600CAS 16143-84-3

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Grundinformationen

Standard-SMILES: CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: XMKZELXFBZUGEY-UHFFFAOYSA-N
Summenformel: C10H7F6NO
Durchschnittliche Molmasse: 271,16 g/mol
Monoisotopische Masse: 271,04318282

Namen und Bezeichner

Bevorzugter Name: 3',5'-Bis(trifluoromethyl)acetanilide
IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]acetamide
Englischer Name: 3,5-Bis(trifluoromethyl)acetanilide
Summenformel: C10H7F6NO
Molmasse: 271.16

Namen und Synonyme

3',5'-Bis(trifluoromethyl)acetanilideRefChem:484544664-946-116143-84-3n-[3,5-bis(trifluoromethyl)phenyl]acetamide3,5-Bis(Trifluoromethyl)AcetanilideN-(3,5-Bis(trifluoromethyl)phenyl)acetamideMFCD00089454Maybridge1_000017CBMicro_045192GNF-Pf-1581DTXSID90352343

Weitere Namen anzeigen

3,5-DI(TRIFLUOROMETHYL)ACETANILIDE3,5-Ditrifluoromethylphenylacetamide3',5'-Bis(trifluoromethyl)acetanilide97%3',5'-Bis(trifluoromethyl)acetanilide 97%N1-[3,5-DI(TRIFLUOROMETHYL)PHENYL]ACETAMIDE

Acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-Cl-4459AKOS003587357BIM-0045353.P0011-acetamido-3,5-bis(trifluoromethyl)benzeneAB00102507-01MixCom1_000017CHEMBL602999

Datenbank-Bezeichner

CAS: 16143-84-3
PubChem CID: 723600
DTXSID: DTXSID90352343
ChEMBL: CHEMBL602999
EC Number: 664-946-1
Nikkaji: J1.564.883J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 1
Schwere Atome: 18
Formalladung: 0
Komplexität: 288

Physikochemische Eigenschaften

Schmelzpunkt: 160 °C · 160 °C
Siedepunkt: 262.6 · 262.6±40.0 °C(Predicted)
Dichte: 1.43 · 1.430±0.06 g/cm3(Predicted)
pka: 14.03 · 14.03±0.70(Predicted)
CAS Datenbank: 16143 · 16143-84-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 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.