6-Trifluoromethyloxindole

HCID 608487

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Basic information

CAS: 1735-89-3
Standard SMILES: O=C1Cc2ccc(C(F)(F)F)cc2N1
InChIKey: LZPKWQOLOCLSBO-UHFFFAOYSA-N
Molecular formula: C9H6F3NO
Average molar mass: 201.14 g/mol
Monoisotopic mass: 201.04014847

Names & identifiers

Preferred name: 6-Trifluoromethyloxindole
IUPAC: 6-(trifluoromethyl)-1,3-dihydroindol-2-one
English name: 6-TRIFLUOROMETHYLOXINDOLE
Molecular formula: C9H6F3NO
Molecular weight: 201.15

Names & synonyms

6-Trifluoromethyloxindole1735-89-3DTXSID203459802-Indolinone, 6-trifluoromethyl-Indol-2(3H)-one, 6-trifluoromethyl-RefChem:309429DTXCID40297053LZPKWQOLOCLSBO-UHFFFAOYSA-N6-(trifluoromethyl)indolin-2-one6-(Trifluoromethyl)oxindoleMFCD010752202H-INDOL-2-ONE, 1,3-DIHYDRO-6-(TRIFLUOROMETHYL)-

Show more names

BUTTPARK 24\07-326-Trifluoromethvl-2-oxindole6-Trifluoromethylindole-2-one6-(Trifluoromethyl)oxindole97%6-(Trifluoromethyl)oxindole 97%

6-(trifluoromethyl)-1,3-dihydroindol-2-one6-(Trifluoromethyl)-1,3-dihydro-2H-indol-2-one6-(trifluoromethyl)-2,3-dihydro-1H-indol-2-one6-trifluoromethyl oxindole6-trifluoromethyl-2-indolinone6-Trifluromethyl-2-oxindole6-trifluoromethyl-2-oxindoleSCHEMBL3224720

Database identifiers

CAS: 1735-89-3
PubChem CID: 608487
DTXSID: DTXSID20345980
EC Number: 672-900-7
Nikkaji: J2.211.140J

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 251

Physicochemical properties

Melting point: 184 · 184-186
Boiling point: 289.8 · 289.8±40.0 °C(Predicted)
Density: 1.391 · 1.391±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 13.34 · 13.34±0.20(Predicted)
color: Off-white to pink
CAS DataBase Reference: 1735 · 1735-89-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317
Precautionary statements: 280 · P280
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-43
Safety Statements: 36 · 36/37-24/25
Hazard Note: Irritant/Keep Cold
HS Code: 29337900 · 29337900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.