ChemicalBook--->CAS DataBase List--->456-49-5

456-49-5

456-49-5 Structure

456-49-5 Structure
IdentificationMore
[Name]

3-Fluoroanisole
[CAS]

456-49-5
[Synonyms]

M-FLUOROANISOLE
M-FLUORO METHOXYBENZENE
1-Fluoro-3-methoxybenzene
1-fluoro-3-methoxy-benzene
Benzene, 1-fluoro-3-methoxy-
3-Fluoroanisole,99%
3-Fluoroanisole 99%
m-Fluorophenyl methyl ether
3-Fluorophenyl(methyl) ether
[EINECS(EC#)]

207-267-4
[Molecular Formula]

C7H7FO
[MDL Number]

MFCD00000335
[Molecular Weight]

126.13
[MOL File]

456-49-5.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to straw yellow liquid
[Melting point ]

-35°C
[Boiling point ]

158 °C/743 mmHg (lit.)
[density ]

1.104 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.488(lit.)
[Fp ]

111 °F
[storage temp. ]

Flammables area
[solubility ]

Chloroform, Methanol
[form ]

Oil
[color ]

Colourless
[Specific Gravity]

1.104
[BRN ]

1858895
[InChI]

InChI=1S/C7H7FO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
[InChIKey]

MFJNOXOAIFNSBX-UHFFFAOYSA-N
[SMILES]

C1(F)=CC=CC(OC)=C1
[CAS DataBase Reference]

456-49-5(CAS DataBase Reference)
[NIST Chemistry Reference]

m-Fluoroanisole(456-49-5)
Questions And AnswerBack Directory
[Preparation]

Methanol (3.2 mL, 79 mmol) was slowly added to a solution of KOtBu (7.4 g, 66 mmol) and dimethylformamide (15 mL), followed by the addition of 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (6 mL). The solution was heated at 80°C for 30 minutes. 1,3-Difluorobenzene (2.6 mL, 26 mmol) was added to the mixture. The solution was heated again at 80°C for 3.5 hours. The reaction mixture was cooled to room temperature. The reaction mixture was washed with water and 10% brine (2 x). The reaction mixture was dried. The reaction mixture was concentrated. The obtained 3-Fluoroanisole was purified by rapid chromatography (1% EtOAc in hexane).
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P403+P235-P501-P241-P280a-P501a
[Hazard Codes ]

F
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[Hazard Note ]

Flammable
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29093090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3-Iodoanisole-->Anisole
[Preparation Products]

2-Fluoro-6-methoxybenzaldehyde-->2-Fluoro-6-hydroxyphenylboronic acid-->5-Fluoro-2-nitroanisole-->4-Bromo-3-fluoroanisole-->2-FLUORO-4-METHOXYBENZYL ALCOHOL-->2-FLUORO-6-METHOXYPHENOL-->2-Bromo-3-fluoroanisole-->2-Fluoro-4-methoxybenzoic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Fluoroanisole(456-49-5).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to straw yellow liquid
[Uses]

3-Fluoroanisole is used in the preparation of tertiary benzylic nitriles.
[Synthesis Reference(s)]

Tetrahedron, 52, p. 23, 1996 DOI: 10.1016/0040-4020(95)00867-8
Spectrum DetailBack Directory
[Spectrum Detail]

3-Fluoroanisole(456-49-5)MS
3-Fluoroanisole(456-49-5)1HNMR
3-Fluoroanisole(456-49-5)IR1
3-Fluoroanisole(456-49-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Fluoroanisole, 99%(456-49-5)
[Alfa Aesar]

3-Fluoroanisole, 99%(456-49-5)
[Sigma Aldrich]

456-49-5(sigmaaldrich)
[TCI AMERICA]

3-Fluoroanisole,>99.0%(GC)(456-49-5)
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