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126541-82-0

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126541-82-0 Structure

126541-82-0 Structure
IdentificationBack Directory
[Name]

Methyl 3-aMino-4-(trifluoroMethyl)benzoate
[CAS]

126541-82-0
[Synonyms]

Methyl 3-aMino-4-(trifluoroMethyl)benzoate
3-Amino-4-(trifluormethyl)benzoesaeure-methylester
3-Amino-4-trifluoromethyl-benzoic acid methyl ester
Benzoic acid, 3-amino-4-(trifluoromethyl)-, methyl ester
[Molecular Formula]

C9H8F3NO2
[MDL Number]

MFCD14697987
[MOL File]

126541-82-0.mol
[Molecular Weight]

219.16
Chemical PropertiesBack Directory
[Boiling point ]

294.1±40.0 °C(Predicted)
[density ]

1.343±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[pka]

0.32±0.10(Predicted)
[Appearance]

Off-white to yellow Solid
[InChI]

InChI=1S/C9H8F3NO2/c1-15-8(14)5-2-3-6(7(13)4-5)9(10,11)12/h2-4H,13H2,1H3
[InChIKey]

GESWYDYJQMSAOJ-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=CC=C(C(F)(F)F)C(N)=C1
Safety DataBack Directory
[HS Code ]

2916399090
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 3-aMino-4-(trifluoroMethyl)benzoate(126541-82-0)1HNMR
Hazard InformationBack Directory
[References]

[1] Liebigs Annalen der Chemie, 1990, # 6, p. 569 - 579
[2] Patent: WO2015/143653, 2015, A1. Location in patent: Page/Page column 57
[3] Patent: WO2015/148344, 2015, A2. Location in patent: Page/Page column 104
[4] Patent: WO2015/143652, 2015, A1. Location in patent: Page/Page column 47
[5] Patent: WO2016/161572, 2016, A1. Location in patent: Page/Page column 75
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