ChemicalBook--->CAS DataBase List--->399-31-5

399-31-5

399-31-5 Structure

399-31-5 Structure
IdentificationMore
[Name]

2'-Fluoroacetanilide
[CAS]

399-31-5
[Synonyms]

1-ACETAMIDO-2-FLUOROBENZENE
2'-FLUOROACETANILIDE
2-FLUOROACETANILIDE
2-FLUOROACETANILINE
N1-(2-FLUOROPHENYL)ACETAMIDE
N-(2-FLUOROPHENYL)ACETAMIDE
O-FLUOROACETANILIDE
2-Fluoroacetanilide, 98+%
2-Fluorophenyl acetamide
N-Acetyl 2-fluoroaniline
[EINECS(EC#)]

206-916-9
[Molecular Formula]

C8H8FNO
[MDL Number]

MFCD00000315
[Molecular Weight]

153.15
[MOL File]

399-31-5.mol
Chemical PropertiesBack Directory
[Appearance]

white fine crystalline powder
[Melting point ]

77-79 °C(lit.)
[Boiling point ]

140-142 °C14 mm Hg(lit.)
[density ]

1.1655 (estimate)
[Fp ]

140-142°C/14mm
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

Fine Crystalline Powder
[pka]

14.04±0.70(Predicted)
[color ]

White
[BRN ]

2717443
[CAS DataBase Reference]

399-31-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Acetamide, N-(2-fluorophenyl)-(399-31-5)
Safety DataBack 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 .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29242998
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2'-Fluoroacetanilide(399-31-5).msds
Hazard InformationBack Directory
[Chemical Properties]

white fine crystalline powder
[Uses]

2''-Fluoroacetanilide
[Synthesis]

2-Fluoroaniline

348-54-9

Acetic anhydride

108-24-7

2'-Fluoroacetanilide

399-31-5

Step 1: Synthesis of N-(2-fluorophenyl)acetamide To a solution of 2-fluoroaniline (5.0 g, 45.05 mmol) in dichloromethane (DCM, 225 mL) was sequentially added acetic anhydride (4.09 mL, 45.05 mmol) and triethylamine (7.55 mL, 54.05 mmol). The reaction mixture was stirred at room temperature for 6 hours. After completion of the reaction, the mixture was concentrated, diluted with ethyl acetate and washed with 1N hydrochloric acid (2 x 50 mL). The organic phase was dried with anhydrous sodium sulfate (Na2SO4) and concentrated to give N-(2-fluorophenyl)acetamide (6.20 g, 90% yield) as a white solid.LCMS analysis showed the molecular ion peak of the target product to be 153.99 (M + H)+.

[References]

[1] Journal of Medicinal Chemistry, 2003, vol. 46, # 11, p. 2187 - 2196
[2] Patent: US2008/139558, 2008, A1. Location in patent: Page/Page column 80
[3] Journal of the Chemical Society - Perkin Transactions 1, 1996, # 7, p. 669 - 673
[4] Patent: US2012/238543, 2012, A1. Location in patent: Page/Page column 13
[5] Patent: US2012/270854, 2012, A1. Location in patent: Page/Page column 20
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2'-Fluoroacetanilide,98%(399-31-5)
[Alfa Aesar]

2'-Fluoroacetanilide, 98+%(399-31-5)
[Sigma Aldrich]

399-31-5(sigmaaldrich)
[TCI AMERICA]

2'-Fluoroacetanilide,>98.0%(GC)(399-31-5)
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