4-(4-(Trifluoromethyl)phenoxy)aniline

HCID 2760751

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Basic information

CAS: 57478-19-0
Standard SMILES: Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIKey: SMLYUHJGJWSUEC-UHFFFAOYSA-N
Molecular formula: C13H10F3NO
Average molar mass: 253.22 g/mol
Monoisotopic mass: 253.0714486

Names & identifiers

Preferred name: 4-(4-(Trifluoromethyl)phenoxy)aniline
IUPAC: 4-[4-(trifluoromethyl)phenoxy]aniline
English name: 4-(4-TRIFLUOROMETHYLPHENOXY)ANILINE
Molecular formula: C13H10F3NO
Molecular weight: 253.22

Names & synonyms

4-(4-(Trifluoromethyl)phenoxy)aniline57478-19-04-[4-(trifluoromethyl)phenoxy]anilineDTXSID10375337RefChem:287818DTXCID30326366672-230-54-(4-Trifluoromethylphenoxy)anilineMFCD001709304-(4'-trifluoromethylphenoxy)aniline4-(4-trifluoromethyl-phenoxy)-phenylamineBenzenamine, 4-[4-(trifluoromethyl)phenoxy]-

Show more names

4-(4-Ttifluoromethylphenoxy)aniline4-[(4-Trifluoromethylphenyl)oxy]aniline4-(4-trifluoromethylphenoxy)benzeneamine4-[4-(Trifluoromethyl)phenoxy]benzenamine[4-[(4-Trifluoromethylphenyl)oxy]phenyl]amine

SCHEMBL473537p-(4-trifluoromethylphenoxy)-anilineSBB0620194-(4-trifluoromethylphenoxy) anilineAKOS009301207CS-W021992EBC-521897MS-9196

Database identifiers

CAS: 57478-19-0
PubChem CID: 2760751
DTXSID: DTXSID10375337
EC Number: 672-230-5
Nikkaji: J2.315.081F

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 253

Physicochemical properties

Melting point: 70 · 70-80℃
Boiling point: 326 ℃ · 326℃
Density: 1.293 · 1.293
Flash point: 151 ℃ · 151℃
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: solid
pka: 4.41 · 4.41±0.10(Predicted)
color: Beige
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2922290090 · 2922290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (96.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 30 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.