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Key Documents

337242

Sigma-Aldrich

4-Fluoro-3-methylanisole

97%

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About This Item

Linear Formula:
FC6H3(CH3)OCH3
CAS Number:
Molecular Weight:
140.15
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

97%

refractive index

n20/D 1.492 (lit.)

bp

174-175 °C/762 mmHg (lit.)

density

1.07 g/mL at 25 °C (lit.)

functional group

fluoro

SMILES string

COc1ccc(F)c(C)c1

InChI

1S/C8H9FO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3

InChI key

XZBXPBDJLUJLEU-UHFFFAOYSA-N

General description

Photolysis of the charge transfer complex of tetranitromethane and 4-fluoro-3-methylanisole in dichloromethane at -20°C yields the epimeric 1-fluoro-4-methoxy-6-methyl-6-nitro-3-trinitromethylcyclo-hexa-1,4-dienes, 1-fluoro-4-methoxy-2-methyl-r-5-nitro-c-6-trinitromethylcyclohexa-1,3-diene and 4-fluoro-5-methyl-2-trinitromethylanisole.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

145.4 °F - closed cup

flash_point_c

63 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


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Photochemical nitration by tetranitromethane. Part 36. Adduct formation in the photochemical reactions of 4-fluoroanisole and 4-fluoro-3-methylanisole.
Butts CP, et al.
J. Chem. Soc. Perkin Trans. II, 9, 1877-1887 (1996)

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