3,3-Difluoropyrrolidine hydrochloride (1:1)

Basic Information

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CAS Number

163457-23-6

Molecular Formula

C4H8ClF2N

Molecular Weight

143.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

133-136 °C

Boiling Point

84.4 °C at 760 mmHg

Flash Point

4.8℃

SMILES

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Cl.FC1(F)CCNC1

InChI

InChI=1S/C4H7F2N.ClH/c5-4(6)1-2-7-3-4;/h7H,1-3H2;1H

InChIKey

YYVPZQADFREIFR-UHFFFAOYSA-N

LogP

1.0368

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

72.1

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Hazard Class

Class IRRITANT Class IRRITANT

Class HYGROSCOPIC Class HYGROSCOPIC

Sensitiveness

Hygroscopic

Synonyms & References

English

3,3-Difluoropyrrolidine hydrochloride
3,3-DIFLUOROPYRROLIDINE HCL
Pyrrolidine, 3,3-difluoro-, hydrochloride (1:1)
3,3-Difluoropyrrolidine h...
1-Aza-3,3-difluorocyclopentane
3,3-Difluoropyrrolidine hydrochloride 97%
3,3-DIFLUOROPYRROLIDINE HYDROCHLORIDE
3,3-difluoropyrrolidine;hydrochloride

MDL Number

MFCD03788948

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3,3-Difluoropyrrolidine hydrochloride (CAS: 163457-23-6)?

3,3-Difluoropyrrolidine hydrochloride (CAS: 163457-23-6) is a white crystalline solid with a molecular weight of approximately 171.01 g/mol. It has a pKa of 1.9 and is highly soluble in water and organic solvents. This compound exhibits basic properties due to the presence of the hydrochloride salt. It is a versatile precursor in medicinal chemistry and organic synthesis due to its reactivity towards nucleophiles and electrophiles.

How is 3,3-Difluoropyrrolidine hydrochloride (CAS: 163457-23-6) typically synthesized?

3,3-Difluoropyrrolidine hydrochloride can be synthesized via the reaction of 3,3-difluoro-1,2-dihydro-2-oxopyrrole with hydrochloric acid. This process involves the formation of the salt, followed by recrystallization to obtain the desired product. The reaction is typically carried out in aqueous conditions, and the yield is around 70-80%. Catalysts and other reagents may be used to improve selectivity and yield.

What industries use 3,3-Difluoropyrrolidine hydrochloride (CAS: 163457-23-6)?

3,3-Difluoropyrrolidine hydrochloride (CAS: 163457-23-6) is primarily used in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various drugs and is also utilized in the preparation of polymers, sensors, and semiconductor materials. Its reactivity and versatility make it a valuable compound in organic synthesis and medicinal chemistry.

What precautions should be taken when handling 3,3-Difluoropyrrolidine hydrochloride (CAS: 163457-23-6)?

When handling 3,3-Difluoropyrrolidine hydrochloride (CAS: 163457-23-6), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to fumes. Spills should be handled with caution, using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures. Proper storage in a cool, dry place away from direct sunlight is recommended to maintain the compound's stability.