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109466-87-7

109466-87-7 Structure

109466-87-7 Structure
IdentificationBack Directory
[Name]

2-NITRO-4-(TRIFLUOROMETHYL)BENZALDEHYDE
[CAS]

109466-87-7
[Synonyms]

Benzaldehyde, 2-nitro-4-(trifluoromethyl)-
2-Nitro-4-(trifluoromethyl)benzaldehyde 97%
4-Formyl-3-nitrobenzotrifluoride, 2-Formyl-5-(trifluoromethyl)nitrobenzene, 2-Nitro-alpha,alpha,alpha-trifluoro-p-tolualdehyde
[Molecular Formula]

C8H4F3NO3
[MDL Number]

MFCD06797985
[MOL File]

109466-87-7.mol
[Molecular Weight]

219.12
Chemical PropertiesBack Directory
[Melting point ]

41-45°C
[Boiling point ]

273.8±40.0 °C(Predicted)
[density ]

1.496±0.06 g/cm3(Predicted)
[storage temp. ]

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

solid
[Appearance]

Light yellow to brown Solid
[InChI]

1S/C8H4F3NO3/c9-8(10,11)6-2-1-5(4-13)7(3-6)12(14)15/h1-4H
[InChIKey]

CTSYMGKKRHIYIH-UHFFFAOYSA-N
[SMILES]

[O-][N+](=O)c1cc(ccc1C=O)C(F)(F)F
[CAS DataBase Reference]

109466-87-7
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317-H319
[Precautionary statements ]

P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36-43
[Safety Statements ]

26-36/37
[WGK Germany ]

3
[HS Code ]

2913000090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Sens. 1
Hazard InformationBack Directory
[Uses]

2-Nitro-4-trifluoromethylbenzaldehyde is an o-nitrobenzaldehyde compound and an important pharmaceutical intermediate. It can be used as a raw material for synthesizing drugs for treating cardiovascular diseases such as nitropyridine (Adalat), nisodipine, and encaine. It is also an important organic synthesis raw material with wide applications in the chemical industry.
[Pharmaceutical Applications]

2-Nitro-4-(Trifluoromethyl)benzaldehyde is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure allows for the development of new drug molecules with potential therapeutic applications.
Spectrum DetailBack Directory
[Spectrum Detail]

2-NITRO-4-(TRIFLUOROMETHYL)BENZALDEHYDE(109466-87-7)1HNMR
2-NITRO-4-(TRIFLUOROMETHYL)BENZALDEHYDE(109466-87-7)19FNMR
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