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202865-77-8

202865-77-8 Structure

202865-77-8 Structure
IdentificationMore
[Name]

2-BROMO-4-FLUORO-6-METHYLANILINE
[CAS]

202865-77-8
[Synonyms]

2-BROMO-4-FLUORO-6-METHYLANILINE
2-Bromo-4-fluoro-6-methylaniline98%
2-broMo-4-fluoro-6-MethylbenzenaMine
2-Bromo-4-fluoro-6-methylaniline 98%
2-BroMo-4-fluoro-6-Methylaniline, 97+%
BenzenaMine, 2-broMo-4-fluoro-6-Methyl-
2-BROMO-4-FLUORO-6-METHYLANILINE ISO 9001:2015 REACH
[Molecular Formula]

C7H7BrFN
[MDL Number]

MFCD01861196
[Molecular Weight]

204.04
[MOL File]

202865-77-8.mol
Chemical PropertiesBack Directory
[Melting point ]

32-36 °C
[Boiling point ]

248.9±35.0 °C(Predicted)
[density ]

1.589±0.06 g/cm3(Predicted)
[Fp ]

110 °C
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

solid
[pka]

2.45±0.10(Predicted)
[color ]

White to yellow
[InChI]

1S/C7H7BrFN/c1-4-2-5(9)3-6(8)7(4)10/h2-3H,10H2,1H3
[InChIKey]

VTWSBILIFIFEFG-UHFFFAOYSA-N
[SMILES]

Cc1cc(F)cc(Br)c1N
[CAS DataBase Reference]

202865-77-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
[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 .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

2921430090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

2-BROMO-4-FLUORO-6-METHYLANILINE(202865-77-8)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

202865-77-8(sigmaaldrich)
Hazard InformationBack Directory
[Synthesis]

4-Fluoro-2-methylaniline

452-71-1

2-BROMO-4-FLUORO-6-METHYLANILINE

202865-77-8

Example 1 Step a: Synthesis of 2-bromo-4-fluoro-6-methylaniline N-Bromosuccinimide (18.7 g, 0.105 mol) was dissolved in 70 mL of N,N-dimethylformamide, and the solution was added slowly and dropwise to a solution containing 4-fluoro-2-methylaniline (dissolved in 70 mL of N,N-dimethylformamide) at a reaction temperature of 20 °C. The reaction mixture was stirred overnight. The dark colored reaction solution was poured into a mixture consisting of water (1000 mL), brine (50 mL) and ethyl acetate (300 mL). The mixture was transferred to a dispensing funnel, shaken well and separated. The aqueous phase was extracted with ethyl acetate (4 x 150 mL). The organic layers were combined, washed sequentially with water (5 x 100 mL) and brine (2 x 100 mL), dried over anhydrous sodium sulfate, filtered and concentrated. The purity of the raw material was shown to be ≥95% by 1H NMR analysis. The product was further purified by silica gel column chromatography (elution system: ethyl acetate/hexane, 1:8). The pure fractions were combined and evaporated to give 14.9 g of product. The impure fractions were combined, concentrated and redissolved in ether (30 mL) and extracted with 5% hydrochloric acid (5 x 10 mL). The acidic aqueous phase was alkalized with aqueous potassium hydroxide and then extracted with ether to give 0.8 g of the target compound. The total yield was 15.7 g (77% yield). 1H NMR (400 MHz, DMSO-d6) δ ppm: 7.16 (dd, 3JH-F = 8.3 Hz, 4JH-H = 2.9 Hz, 1H, Ar), 6.91 (dd, 3JH-F = 9.3 Hz, 4JH-H = 2.9 Hz, 1H, Ar), 4.83 (br.s, 2H, NH2), 2.16 (s 3H, CH3).

[References]

[1] Patent: WO2011/6803, 2011, A1. Location in patent: Page/Page column 34
[2] Patent: WO2014/64149, 2014, A1. Location in patent: Page/Page column 27
[3] Chinese Journal of Chemistry, 2018, vol. 36, # 9, p. 815 - 818
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