2-(2-aminophenyl)acetonitrile;hydrochloride


Chemical Name: 2-(2-aminophenyl)acetonitrile;hydrochloride
CAS Number: 40943-70-2
Product Number: AG00C9AM(AGN-PC-07Y47X)
Synonyms:
MDL No:
Molecular Formula: C8H9ClN2
Molecular Weight: 168.6235

Identification/Properties


Properties
MP:
>170°C (dec.)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
168.624g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
168.045g/mol
Monoisotopic Mass:
168.045g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
145
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-(2-Aminophenyl)acetonitrile hydrochloride is a versatile chemical compound commonly used in chemical synthesis. Its primary application lies in the field of organic chemistry, where it serves as a key intermediate in the production of various complex molecules and pharmaceutical compounds. Due to its unique structure and reactivity, this compound plays a crucial role in the synthesis of biologically active substances and drug development. In particular, 2-(2-Aminophenyl)acetonitrile hydrochloride is utilized in the preparation of heterocycles, such as indole derivatives, which are widely employed in medicinal chemistry research. Additionally, it is a valuable building block for the synthesis of dyes, agrochemicals, and other specialty chemicals. Its versatility and utility make it an essential component in the toolkit of synthetic chemists seeking to design and fabricate novel compounds with diverse applications.