3-[(1R)-1-Aminoethyl]benzonitrile hydrochloride (1:1)

Basic Information

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CAS Number

1286693-23-9

Molecular Formula

C9H11ClN2

Molecular Weight

182.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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Cl.C[C@@H](N)c1cccc(C#N)c1

InChI

InChI=1S/C9H10N2.ClH/c1-7(11)9-4-2-3-8(5-9)6-10;/h2-5,7H,11H2,1H3;1H/t7-;/m1./s1

InChIKey

UMKDPZGKJZQZAY-OGFXRTJISA-N

LogP

3.08028

Complexity

168

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

(R)-3-(1-Aminoethyl)benzonitrile hydrochloride
3-[(1R)-1-aminoethyl]benzonitrile,hydrochloride
(R)-3-(1-AMINOETHYL)BENZONITRILE-HCl
(R)-3-(1-AMINOETHYL)BENZONITRILE HCL
3-[(1R)-1-aminoethyl]benzonitrile hydrochloride
AMOT0618
UMKDPZGKJZQZAY-OGFXRTJISA-N
ST2408155
AB0000304
AX8217709
X9730
3-((R)-1-Amino-ethyl)-benzonitrile hydrochloride
(R)-3-(1-Aminoethyl)benzonitrile hydrochloride, AldrichCPR
3-[(1R)-1-Aminoethyl]benz

MDL Number

MFCD11101227

FAQ

What are the physical and chemical properties of 3-[(1R)-1-Aminoethyl]benzonitrile hydrochloride (CAS: 1286693-23-9)?

3-[(1R)-1-Aminoethyl]benzonitrile hydrochloride is a white crystalline solid with a molecular weight of approximately 242.64 g/mol. It has a low water solubility and is moderately soluble in organic solvents like methanol and ethanol. This compound is known for its amine group reactivity, which can undergo nucleophilic substitution reactions.

How is 3-[(1R)-1-Aminoethyl]benzonitrile hydrochloride (CAS: 1286693-23-9) typically synthesized?

3-[(1R)-1-Aminoethyl]benzonitrile hydrochloride is typically synthesized via a multistep process starting from 3-bromobenzonitrile and (1R)-1-aminoethyl bromide. The reaction involves nucleophilic substitution followed by hydrolysis to form the hydrochloride salt. Commonly used solvents include dichloromethane and ethyl acetate.

What industries use 3-[(1R)-1-Aminoethyl]benzonitrile hydrochloride (CAS: 1286693-23-9)?

This compound is primarily used in the pharmaceutical industry for its amine functional group, which can be useful in drug synthesis. It also finds applications in polymer chemistry as a monomer and in sensor technology due to its reactivity and solubility properties.

What precautions should be taken when handling 3-[(1R)-1-Aminoethyl]benzonitrile hydrochloride (CAS: 1286693-23-9)?

Proper personal protective equipment (PPE) should be worn when handling this compound, including gloves and safety goggles. It should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up using absorbent materials and suitable waste disposal procedures. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.