| Identification | More | [Name]
4-Bromo-5-fluoro-2-nitrotoluene | [CAS]
224185-19-7 | [Synonyms]
4-BROMO-3-FLUORO-6-NITROTOLUENE
4-BROMO-5-FLUORO-2-NITROTOLUENE
4-Bromo-5-fluoro-2-nitortoluene
2-Nitro-4-Bromo-5-Fluorotoluene
1-Bromo-2-fluoro-4-methyl-5-nitro-benzene | [EINECS(EC#)]
625-785-2 | [Molecular Formula]
C7H5BrFNO2 | [MDL Number]
MFCD04039299 | [Molecular Weight]
234.02 | [MOL File]
224185-19-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
59-63°C | [Boiling point ]
266.6±35.0 °C(Predicted) | [density ]
1.696±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
solid | [color ]
Cream | [InChI]
1S/C7H5BrFNO2/c1-4-2-6(9)5(8)3-7(4)10(11)12/h2-3H,1H3 | [InChIKey]
MTTNTJRJOFVWSY-UHFFFAOYSA-N | [SMILES]
Cc1cc(F)c(Br)cc1[N+]([O-])=O | [CAS DataBase Reference]
224185-19-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36:Irritating to the eyes.
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:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HS Code ]
29049090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Irrit. 2 |
| Hazard Information | Back Directory | [Chemical Properties]
pale yellow powder | [Synthesis]
2-Fluoro-4-methyl-5-nitro-aniline (1.85 g, 10.90 mmol) was suspended in concentrated hydrobromic acid (22 ml_) and cooled to 0 ℃. Solution of sodium nitrite (0.83 g, 12.00 mmol) in water (3.6 ml_) was added dropwise while maintaining the temperature at 0-5 °C. After stirring for 15 min, the mixture was filtered through a cotton pad and slowly poured into a solution of cuprous oxide (2.60 g, 17.5 mmol) and concentrated hydrobromic acid (20 ml) at 0 °C. After stirring overnight, the reaction mixture was diluted with EtOAc, washed with 10 % aq NaOH and 5percent aq Na2S2Os successively, dried over MgSO4, filtered and concentrated. The residue was purified by column chromatography (ethyl acetate: hexane; 2:98) to afford 1-Bromo-2-fluoro-4- methyl-5-nitro-benzene as a colorless oil (2.30 g, 91 %).
| [References]
[1] Patent: WO2003/99824, 2003, A1. Location in patent: Page 32
[2] Patent: WO2003/99275, 2003, A1. Location in patent: Page 65
[3] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 2, p. 457 - 460
[4] Patent: WO2015/54572, 2015, A1. Location in patent: Page/Page column 247
[5] Patent: US2004/224973, 2004, A1. Location in patent: Page 21 |
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J & K SCIENTIFIC LTD.
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Alfa Aesar
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http://chemicals.thermofisher.cn |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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