ChemicalBook--->CAS DataBase List--->454-67-1

454-67-1

454-67-1 Structure

454-67-1 Structure
IdentificationMore
[Name]

3-Amino-5-fluorobenzotrifluoride
[CAS]

454-67-1
[Synonyms]

3-AMINO-5-FLUOROBENZOTRIFLUORIDE
3-FLUORO-5-(TRIFLUOROMETHYL)ANILINE
3-AMINO-5-FLUORO-TRIFLUOROMETHYLBENZENE
3-Amino-5-fluorobenzotrifluoride 98%
3-Amino-5-fluorobenzotrifluoride98%
[Molecular Formula]

C7H5F4N
[MDL Number]

MFCD00061315
[Molecular Weight]

179.11
[MOL File]

454-67-1.mol
Chemical PropertiesBack Directory
[Boiling point ]

186.8±40.0 °C(Predicted)
[density ]

1.383±0.06 g/cm3(Predicted)
[Fp ]

75 °C
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

liquid
[pka]

2.36±0.10(Predicted)
[color ]

Clear, colourless
[InChI]

InChI=1S/C7H5F4N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
[InChIKey]

WQKQODZOQAFYPR-UHFFFAOYSA-N
[SMILES]

C1(N)=CC(C(F)(F)F)=CC(F)=C1
[CAS DataBase Reference]

454-67-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[HazardClass ]

IRRITANT
[HS Code ]

2921420090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzene, 2-bromo-5-fluoro-1-nitro-3-(trifluoromethyl)-
[Preparation Products]

3-FLUORO-5-(TRIFLUOROMETHYL)BENZENESULPHONYL CHLORIDE-->Acetamide, N-[3-fluoro-5-(trifluoromethyl)phenyl]-
Spectrum DetailBack Directory
[Spectrum Detail]

3-Amino-5-fluorobenzotrifluoride(454-67-1)1HNMR
3-Amino-5-fluorobenzotrifluoride(454-67-1)19FNMR
3-Amino-5-fluorobenzotrifluoride(454-67-1)13CNMR
3-Amino-5-fluorobenzotrifluoride(454-67-1)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Fluoro-5-(trifluoromethyl)aniline, 97%(454-67-1)
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