1-(2-Bromo-4-fluorophenyl)methanamine hydrochloride (1:1)

Basic Information

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CAS Number

289038-14-8

Molecular Formula

C7H8BrClFN

Molecular Weight

240.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC(=C(C=C1F)Br)CN.Cl

InChI

InChI=1S/C7H7BrFN.ClH/c8-7-3-6(9)2-1-5(7)4-10;/h1-3H,4,10H2;1H

InChIKey

PBCSNHSXUSMNOV-UHFFFAOYSA-N

LogP

2.4687

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

110

Safety Information

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Hazard Statement

Synonyms & References

English

Z2238930616
EN300-156065
2-Bromo-4-fluorobenzylamine HCl
CS-0156854
(2-bromo-4-fluorophenyl)methanamine hydrochloride
(2-bromo-4-fluorophenyl)methanamine;hydrochloride
DTXSID30378401
(2-bromo-4-fluorophenyl)methanaminehydrochloride
A1-00615
(2-Bromo-4-fluorophenyl)methanamine HCl
Benzenemethanamine, 2-bromo-4-fluoro-, hydrochloride (1:1)
2-Bromo-4-fluorobenzylamine hydrochloride
AKOS026675589
MFCD00672922
SCHEMBL856646
2-Bromo-4-fluorobenzylamine, HCl
PS-7584
Y11612
A819659
289038-14-8
(2-Bromo-4-fluorophenyl)methanamine hydrochloride
PC7383

MDL Number

MFCD00672922

Customs Code

2921499090

FAQ

What are the physical and chemical properties of 1-(2-Bromo-4-fluorophenyl)methanamine hydrochloride (CAS: 289038-14-8)?

1-(2-Bromo-4-fluorophenyl)methanamine hydrochloride is a crystalline compound with a molecular weight of approximately 313.13 g/mol. It has a pKa of about 1.9 and is highly soluble in water and ethanol. The compound is moderately reactive, especially under acidic conditions. It exhibits good solubility in common organic solvents such as dichloromethane and acetonitrile but is less soluble in polar aprotic solvents like dimethylformamide.

How is 1-(2-Bromo-4-fluorophenyl)methanamine hydrochloride (CAS: 289038-14-8) typically synthesized?

1-(2-Bromo-4-fluorophenyl)methanamine hydrochloride is commonly synthesized by the reaction of 2-bromo-4-fluorophenylamine with hydrochloric acid. This process involves the bromination of a phenol followed by the amine reaction, resulting in the formation of the hydrochloride salt. The reaction is typically carried out in a solvent such as methanol or ethanol under reflux conditions. The yield is usually around 75-85%, with high selectivity towards the desired product.

What industries use 1-(2-Bromo-4-fluorophenyl)methanamine hydrochloride (CAS: 289038-14-8)?

1-(2-Bromo-4-fluorophenyl)methanamine hydrochloride finds applications in the pharmaceutical and polymer industries. It is used as a precursor in the synthesis of pharmaceutical compounds and as a monomer in the production of advanced polymers. Additionally, it is explored in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 1-(2-Bromo-4-fluorophenyl)methanamine hydrochloride (CAS: 289038-14-8)?

When handling 1-(2-Bromo-4-fluorophenyl)methanamine hydrochloride, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be used in a well-ventilated area or under a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. In case of skin contact or inhalation, seek medical attention. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.