(2-Aminophenyl)acetonitrile

Basic Information

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CAS Number

2973-50-4

Molecular Formula

C8H8N2

Molecular Weight

121.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

69-72 °C

Boiling Point

302.2℃ at 760 mmHg

Density

1.12

Flash Point

136.5℃

Refractive Index

1.592

SMILES

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C1=CC=C(C(=C1)CC#N)N

InChI

InChI=1S/C8H8N2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5,10H2

InChIKey

LMDPYYUISNUGGT-UHFFFAOYSA-N

LogP

1.8312

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

145

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H331 Toxic if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

2-Aminophenylacetonitrile
PE7ZN32FVB
BP-12784
EN300-95298
AKOS009157036
ACETONITRILE, (O-AMINOPHENYL)-
2-Aminobenzyl cyanide
2973-50-4
DTXSID60183888
SY011031
MFCD00091082
2-Aminobenzeneacetonitrile
SCHEMBL397554
LMDPYYUISNUGGT-UHFFFAOYSA-N
2-tetradecanoyloxyethyl 2-(phosphonooxymethyl)tetradecanoate;2-Aminobenzyl Cyanide
W-106977
EINECS 221-015-0
AM82821
2-aminophenyl acetonitrile
SB75385
FT-0659282
FT-0650779
o-Aminophenylacetonitrile
UNII-PE7ZN32FVB
DS-1905
BENZENEACETONITRILE, 2-AMINO-
2-(2-aminophenyl)acetonitrile
CL8752
o-Aminobenzyl Cyanide
CS-W008009
A820031

MDL Number

MFCD00091082

Customs Code

2926909090

FAQ

What are the physical and chemical properties of (2-Aminophenyl)acetonitrile (CAS: 2973-50-4)?

(2-Aminophenyl)acetonitrile (CAS: 2973-50-4) is a crystalline compound with a molecular weight of approximately 162.17 g/mol. It has a low solubility in water (0.4 g/L at 25°C) but is soluble in organic solvents such as ethanol and acetone. The compound is moderately reactive, showing some reactivity towards nucleophiles and electrophiles. It is stable under normal storage conditions but should be protected from strong oxidizing agents and light.

How is (2-Aminophenyl)acetonitrile (CAS: 2973-50-4) typically synthesized?

(2-Aminophenyl)acetonitrile is typically synthesized via the reaction of 2-aminophenol with acetonitrile in the presence of a base such as sodium hydroxide. The reaction is carried out in an organic solvent at elevated temperature, and the product is isolated by filtration and recrystallization. The yield is typically around 70%-80%, and the selectivity is good, with minimal side products formed.

What industries use (2-Aminophenyl)acetonitrile (CAS: 2973-50-4)?

(2-Aminophenyl)acetonitrile (CAS: 2973-50-4) is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drug compounds. It also finds applications in the polymer industry for the modification of polymer properties, in the sensor industry for developing gas sensors, and in the semiconductor industry for the production of organic semiconductors.

What precautions should be taken when handling (2-Aminophenyl)acetonitrile (CAS: 2973-50-4)?

When handling (2-Aminophenyl)acetonitrile (CAS: 2973-50-4), it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed safety information and emergency procedures.