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2-Bromo-6-methoxybenzonitrile

2-Bromo-6-methoxybenzonitrile structure

CAS No:
1245647-50-0
Formula:
C8H6BrNO
Chemical Name:
2-Bromo-6-methoxybenzonitrile
Synonyms:
2-Bromo-6-methoxybenzonitrile;2-Bromo-6-methoxy-benzonitrile;Benzonitrile, 2-bromo-6-methoxy-;ACMC-209aso;3-Bromo-2-cyanoanisole;KSC494G5P;SCHEMBL16179979;CTK3J4357;KS-00000PTA;DTXSID50677408
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Bromo-6-methoxybenzonitrile Basic Attributes

Molecular Weight：

212.04334

Exact Mass：

210.963272

DSSTox ID：

DTXSID50677408

HScode：

2926909090

Characteristics

PSA：

XLogP3：

2.3

Density：

1.56±0.1 g/cm3(Predicted)

Boiling Point：

310.9±27.0 °C(Predicted)

Flash Point：

141.8±23.7 °C

Refractive Index：

1.584

2-Bromo-6-methoxybenzonitrile Use and Manufacturing

Representative procedure: To a solution of 1-(azidomethyl)-4-methoxybenzene (8a) (81 mg, 0.5 mmol) in MeCN (0.5 mL) was added PhI(OAc) (1) (483.1 mg, 1.5 mmol) at 0 °C. The resultant suspension was stirred vigorously while a solution of tBuOOH (2) (5.0-6.0 M in decane, 360 μL, 2.0 mmol) was added dropwise over 1 h. After the addition, the reaction mixture was stirred for 11 h followed by chromatography on silica gel with n-hexanes/EtOAc (10:1) to yield 4-methoxybenzonitrile (9a) as a yellow oil (55.3 mg, 83percent).

Computed Properties

Molecular Weight:212.04
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:210.96328
Monoisotopic Mass:210.96328
Topological Polar Surface Area:33
Heavy Atom Count:11
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Bromo-6-methoxybenzonitrile

CAS No.: 1245647-50-0

Content: 99.00%

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CAS No.: 1245647-50-0

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Guide of 2-Bromo-6-methoxybenzonitrile

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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Latest News
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2-Bromo-6-methoxybenzonitrile

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