| Identification | More | [Name]
3-Fluoro-4-methylbenzoic acid | [CAS]
350-28-7 | [Synonyms]
3-FLUORO-4-METHYLBENZOIC ACID
3-FLUORO-P-TOLUIC ACID
RARECHEM AL BO 0761
TIMTEC-BB SBB004034
3-Fluoro-4-methylbenzoic acid 97%
3-FFLUORO-4-METHYLBENZOIC ACID
3-Fluoro-4-methylbenzoicacid97% | [EINECS(EC#)]
206-498-8 | [Molecular Formula]
C8H7FO2 | [MDL Number]
MFCD00002490 | [Molecular Weight]
154.14 | [MOL File]
350-28-7.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powder | [Melting point ]
169-171 °C (lit.) | [Boiling point ]
203.5°C (rough estimate) | [density ]
1.1850 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
4.03±0.10(Predicted) | [color ]
White to Light yellow | [BRN ]
2574141 | [InChI]
1S/C8H7FO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11) | [InChIKey]
XUQCONCMPCVUDM-UHFFFAOYSA-N | [SMILES]
Cc1ccc(cc1F)C(O)=O | [CAS DataBase Reference]
350-28-7(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 .
S37/39:Wear suitable gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
S22:Do not breathe dust .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
TSCA listed | [HazardClass ]
IRRITANT | [HS Code ]
29163990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powder | [Uses]
3-Fluoro-4-toluic Acid was used in the synthesis of cyclooxygenase selective and orally active antiinflammatory agents. It was also used to prepare benzamide derivatives as Bcr-Abl kinase inhibitors. | [Synthesis]
In a Schlenk (50 mL) reaction flask with a carbon dioxide balloon attached at the stub, Cu(OAc)2.H2O (0.0125 mmol), 1,2-bis(diphenylphosphino)benzene (0.018 mmol), and 1,4-dioxane (2.0 mL) were added with stirring, and then the flask was placed at 60 °C o |
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