| Identification | More | [Name]
3-NITRO-4-(TRIFLUOROMETHYL)BENZOIC ACID | [CAS]
116965-16-3 | [Synonyms]
3NTF-BOA
3-NITRO-4-(TRIFLUOROMETHYL)BENZOIC
3-NITRO-4-(TRIFLUOROMETHYL)BENZOIC ACID
4-(Trifluoromethyl)-3-nitrobenzoic acid
Benzoic acid, 3-nitro-4-(trifluoromethyl)-
5-Carboxy-2-(trifluoromethyl)nitrobenzene, 4-Carboxy-2-nitrobenzotrifluoride | [Molecular Formula]
C8H4F3NO4 | [MDL Number]
MFCD00274359 | [Molecular Weight]
235.12 | [MOL File]
116965-16-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
169°C | [Boiling point ]
330.0±42.0 °C(Predicted) | [density ]
1.596 | [storage temp. ]
2-8°C | [solubility ]
Acetone (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
3.03±0.10(Predicted) | [color ]
Yellow | [InChI]
InChI=1S/C8H4F3NO4/c9-8(10,11)5-2-1-4(7(13)14)3-6(5)12(15)16/h1-3H,(H,13,14) | [InChIKey]
NIWGMOJIGTUDFT-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(C(F)(F)F)C([N+]([O-])=O)=C1 | [CAS DataBase Reference]
116965-16-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
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 ]
IRRITANT, IRRITANT-HARMFUL | [HS Code ]
2916399090 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
3-Nitro-4-trifluoromethylbenzoic Acid is useful intermediate for the preparation of trifluoromethylated (benzoxazolyl)actinocins. |
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