3',5'-Bis(trifluoromethyl)acetanilide

HCID 723600

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Basic information

CAS: 16143-84-3
Standard SMILES: CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: XMKZELXFBZUGEY-UHFFFAOYSA-N
Molecular formula: C10H7F6NO
Average molar mass: 271.16 g/mol
Monoisotopic mass: 271.04318282

Names & identifiers

Preferred name: 3',5'-Bis(trifluoromethyl)acetanilide
IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]acetamide
English name: 3,5-Bis(trifluoromethyl)acetanilide
Molecular formula: C10H7F6NO
Molecular weight: 271.16

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 288

Physicochemical properties

Melting point: 160 °C · 160 °C
Boiling point: 262.6 · 262.6±40.0 °C(Predicted)
Density: 1.43 · 1.430±0.06 g/cm3(Predicted)
pka: 14.03 · 14.03±0.70(Predicted)
CAS DataBase Reference: 16143 · 16143-84-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 5 items

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.