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293474

Sigma-Aldrich

4-Bromo-2-fluoroanisole

97%

Synonym(s):

4-Bromo-2-fluoro-1-methoxybenzene

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About This Item

Linear Formula:
BrC6H3(F)OCH3
CAS Number:
2357-52-0
Molecular Weight:
205.02
EC Number:
219-096-2
MDL number:
MFCD00011710
UNSPSC Code:
12352100
PubChem Substance ID:
24857659
NACRES:
NA.22

Assay

97%

refractive index

n20/D 1.545 (lit.)

bp

84 °C/7 mmHg (lit.)

density

1.59 g/mL at 25 °C (lit.)

functional group

bromo
fluoro

SMILES string

COc1ccc(Br)cc1F

InChI

1S/C7H6BrFO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3

InChI key

DWNXGZBXFDNKOR-UHFFFAOYSA-N

General description

The IR and FT-IR spectra of 4-bromo-2-fluoroanisole have been investigated[1].

Application

4-Bromo-2-fluoroanisole has been used in the synthesis of:
  • 1,4-bis[(3′-fluoro-4′-n alkoxyphenyl)ethynyl]benzenes with n=1-12[2]
  • 7-fluoro-6-methoxy-1-methyl-2-naphthaldehyde[3]
  • 5,7-difluoro-6-methoxy-1-methyl-2-naphthaldehyde[3]
  • liquid crystals with terminal difluoromethoxy group and backbone of phenylbicyclohexane[4]

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

208.4 °F - closed cup

Flash Point(C)

98 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

293474-25G:
293474-5G:
293474-VAR:
293474-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
00401EH
02912LE
04214LO
03630DQ
03319PO

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Vibrational spectra, first hyperpolarizability, HOMO-LUMO analysis of 4-bromo 2-fluro anisole.
Arivazhagan M, et al.
Indian Journal of Pure and Applied Physics, 50(5), 299-307 (2012)
Design of molecular architectures for polymeric mesophase formation.
Pugh C, et al.
Macromolecular Symposia, 98(1) (1995)
Rolf W Hartmann et al.
Journal of enzyme inhibition and medicinal chemistry, 19(2), 145-155 (2004-09-29)
Regioselectively fluorinated 1-(naphth-2-ylmethyl)imidazoles 1a-h have been synthesized starting from the corresponding (naphth-2-yl)methanols (2). 2a-d have been obtained by LiAlH4-promoted reduction of fluorinated 1-methyl-2-naphthaldehydes. The latter were easily prepared in fairly good overall yields by ceric ammonium nitrate (CAN)-promoted oxidative addition
Syntheses of Phenylbicyclohexane Liquid Crystals with Terminal Difluoromethoxy Group [J].
Li J, et al.
Fine Chemicals / ????, 12, 004-004 (2004)

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