| Identification | More | [Name]
3-Fluoro-4-methylaniline | [CAS]
452-77-7 | [Synonyms]
2-FLUORO-4-AMINO-TOLUENE
3-FLUORO-4-METHYLANILINE
3-FLUORO-4-METHYLBENZENEAMINE
3-FLUORO-P-TOLUIDINE
4-AMINO-2-FLUOROTOLUENE
3-fluoro-4-methyl-benzenamin
3-fluoro-p-toluidin
3-Fluoro-4-methylaniline 98%
3-Fluoro-4-methylaniline98%
3-FLUORO-PARA-TOLUIDINE
3-Fluoro-p-toluidine, 4-Amino-2-fluorotoluene
Benzenamine, 3-fluoro-4-methyl- | [EINECS(EC#)]
207-212-4 | [Molecular Formula]
C7H8FN | [MDL Number]
MFCD00007762 | [Molecular Weight]
125.14 | [MOL File]
452-77-7.mol |
| Chemical Properties | Back Directory | [Appearance]
clear pale yellow to brownish liquid after melting | [Melting point ]
30-32 °C (lit.) | [Boiling point ]
93°C 12mm | [density ]
1.093 g/mL at 25 °C(lit.) | [refractive index ]
1.5385-1.5405
| [Fp ]
88 °C
| [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
powder to lump to clear liquid | [pka]
4.02±0.10(Predicted) | [color ]
Light yellow to Brown | [Specific Gravity]
1.093 | [BRN ]
2715987 | [InChI]
InChI=1S/C7H8FN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3 | [InChIKey]
MGRHBBRSAFPBIN-UHFFFAOYSA-N | [SMILES]
C1(N)=CC=C(C)C(F)=C1 | [CAS DataBase Reference]
452-77-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS06 | [Signal word ]
Danger | [Hazard statements ]
H300-H312+H332-H315-H319-H335 | [Precautionary statements ]
P261-P280-P301+P310-P302+P352+P312-P304+P340+P312-P305+P351+P338 | [Hazard Codes ]
T,Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing . | [RIDADR ]
2811 | [WGK Germany ]
3 | [RTECS ]
XU6825000 | [Hazard Note ]
Toxic/Irritant | [HazardClass ]
6.1(b) | [PackingGroup ]
I | [HS Code ]
29214300 | [Storage Class]
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 1 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
clear pale yellow to brownish liquid after melting | [Characteristics]
3-Fluoro-4-methylaniline is an amide and has anti-cancer properties. | [Uses]
3-Fluoro-4-methylaniline is a synthesized compound that is used to produce anti-cancer agents.
| [Synthesis]
General procedure for the synthesis of 3-fluoro-4-methylaniline from 2-fluoro-4-nitrotoluene: Freshly distilled toluene (0.6 mL), aromatic nitro compounds (0.60 mmol), indium triiodide (InI3, 14.9 mg, 0.030 mmol) and 1,1,3,3-tetramethyldi siloxane (TMDS, 318 μL, 1.80 mmol). After sealing the vial with a polytetrafluoroethylene (PTFE) septum, the mixture was stirred at 60 °C (bath temperature) and the progress of the reaction was monitored by thin layer chromatography (TLC). Upon completion of the reaction, 5 mL of aqueous sodium bicarbonate (NaHCO3) was added to the mixture, which was then extracted with ethyl acetate (EtOAc, 3 × 6 mL). The organic phases were combined, dried with anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography (eluent: n-hexane-ethyl acetate, from 9:1 to 4:1) to obtain the target product 3-fluoro-4-methylaniline. | [References]
[1] Tetrahedron Letters, 2003, vol. 44, # 42, p. 7783 - 7787
[2] Synthesis (Germany), 2015, vol. 47, # 20, p. 3179 - 3185
[3] Journal of the American Chemical Society, 1950, vol. 72, p. 1806
[4] Monatshefte fuer Chemie, 1959, vol. 90, p. 683,687
[5] Journal of the Chemical Society, 1949, p. Spl. 113 |
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Jia Xing Isenchem Co.,Ltd
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