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4-Bromo-2-fluoroanisole

4-Bromo-2-fluoroanisole structure

CAS No:
2357-52-0
Formula:
C7H6BrFO
Chemical Name:
4-Bromo-2-fluoroanisole
Synonyms:
Benzene,4-bromo-2-fluoro-1-methoxy-;Anisole,4-bromo-2-fluoro-;4-Bromo-2-fluoro-1-methoxybenzene;4-Bromo-2-fluoroanisole;2-Fluoro-4-bromoanisole;3-Fluoro-4-methoxybromobenzene;1-Bromo-3-fluoro-4-methoxybenzene;NSC 10329;4-Bromo-2-fluoro-1-(methyloxy)benzene;4-Methoxy-3-fluoro-1-bromobenzene;2-Fluoro-4-Bromo Anisol
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

CLEAR VERY SLIGHTLY YELLOW LIQUID

4-Bromo-2-fluoroanisole Basic Attributes

Molecular Weight：

205.02

Exact Mass：

205.02

BRN：

3240714

EC Number：

219-096-2

NSC Number：

10329

DSSTox ID：

DTXSID80178195

HScode：

2909309090

Characteristics

PSA：

9.2

XLogP3：

2.7

Appearance：

clear very slightly yellow liquid

Density：

1.5±0.1 g/cm3

Melting Point：

16 °C

Boiling Point：

96-96.5 °C

Flash Point：

209 °F

Refractive Index：

1.519

Water Solubility：

H2O: insoluble

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-24/25

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromo-2-fluoroanisole Use and Manufacturing

Synthesis of 3-fluoro-4-methoxybromobenzene (a) (a) The crude product (1.0 g, 7.9 mmol) was dissolved in acetonitrile (15 mL) and N-bromosuccinimide (1.4 g, 8.7 mmol) was added and reacted at 70 ° C for 3 h. After the reaction was completed, most of the acetonitrile was distilled off, 30 mL of water was added, the mixture was stirred for 10 min and extracted with ethyl acetate (3 × 20 mL). The combined organic phases were dried over anhydrous magnesium sulfate and separated by column chromatography (pure petroleum ether as eluent) The brominated product (intermediate A_2c) was obtained as a light yellow oily liquid (1.4 g, yield 86percent) oA-2c: SH (300 MHz; CDCl 3) 7.23-7.16 (2H, m), 6.82 (D, J = 8.7Hz), 3.86 (3H, s); δ (75ΜΗζ; CDC13) 152.3 (d, Jc, F = 249.0Hz), 147.1 (d, 119.6 (d, J = 21.1 Hz), 114.6 (d, J = 2.2 Hz), 111.9 (d, J = 8.2 Hz), 56.4Example 21 [000274] To a solution of 4-bromo-2-fluorophenol (15 g, 78.5 mmol) in DMF (200 mL) was added K

Computed Properties

Molecular Weight:205.02
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:203.95861
Monoisotopic Mass:203.95861
Topological Polar Surface Area:9.2
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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