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Home > Encyclopedia > 3-AMINO-2-FLUOROBENZONITRILE

3-AMINO-2-FLUOROBENZONITRILE

3-AMINO-2-FLUOROBENZONITRILE structure

3-AMINO-2-FLUOROBENZONITRILE 

structure

3-AMINO-2-FLUOROBENZONITRILE Basic Attributes

136

136.043671

DTXSID70654630

2926909090

Characteristics

49.8

1.1

1.3±0.1 g/cm3

117.3±21.8 °C

1.560

Safety Information

IRRITANT

3439

6.1

3-AMINO-2-FLUOROBENZONITRILE Use and Manufacturing

Step 1; A round bottom flask was charged with 1 eq of 3-chloro-2-fluoroaniline (3A), 1-methyl-2-pyrrolidinone (about 1.5 M 3A in NMP), 2.2 eq of sodium cyanide, and 1.35 eq of nickel(II) bromide at RT under NA round bottom flask was charged with 1 eq of 3-chloro-2-fluoroaniline (3A), 1- methyl-2-pyrrolidinone (about 1.5 M 3 A in NMP), 2.2 eq of sodium cyanide, and 1.35 eq of nickel(II) bromide at RT under NA round bottom flask was charged with 1 eq of 3-chloro-2-fluoroaniline (3A), 1- methyl-2-pyrrolidinone (about 1.5 M 3A in NMP), 2.2 eq of sodium cyanide, and 1.35 eq of nickel(II) bromide at RT under N2. The concentration was halved by the introduction of additional NMP under NA round bottom flask was charged with 1 eq of 3-chloro-2-fluoroaniline (3A), l-methyl-2-pyrrolidinone (about 1.5 M 3A in NMP), 2.2 eq of sodium cyanide, and 1.35 eq of nickel() bromide at RT under NExample 3 Step 1. A round bottom flask was charged with 1 eq of 3-chloro-2-fluoroaniline (3A), 1- methyl-2-pyrrolidinone (about 1.5 M 3 A in NMP), 2.2 eq of sodium cyanide, and 1.35 eq of nickel(II) bromide at RT under NStep 1 A round bottom flask was charged with 1 eq of 3-chloro-2-fluoroaniline (3A), 1-methyl-2-pyrrolidinone (about 1.5 M 3A in NMP), 2.2 eq of sodium cyanide, and 1.35 eq of nickel(II) bromide at RT under N

Computed Properties

Molecular Weight:136.13
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:136.04367633
Monoisotopic Mass:136.04367633
Topological Polar Surface Area:49.8
Heavy Atom Count:10
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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