1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide (1:1)

Basic Information

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CAS Number

59729-32-7

Molecular Formula

C20H22BrFN2O

Molecular Weight

405.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

182-188 ºC

Boiling Point

No data available

Solubility

H2O: soluble (sparingly)

Vapor Pressure

No data available

SMILES

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CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br

InChI

InChI=1S/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H

InChIKey

WIHMBLDNRMIGDW-UHFFFAOYSA-N

LogP

4.77108

Complexity

466

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

C2370
CITALOPRAM HYDROBROMIDE [WHO-DD]
SR-01000003129
1-(3-(DIMETHYLAMINO)PROPYL)-1-(P-FLUOROPHENYL)-5-PHTHALANCARBONITRILE MONOHBR
MLS000758293
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
CITALOPRAM HYDROBROMIDE [MART.]
CITALOPRAM HYDROBROMIDE [USP IMPURITY]
59729-32-7 (HBr)
s4749
Citalopram (as hydrobromide)
BCP9000537
UNII-I1E9D14F36
Citalopram.HBr, 1mg/ml in Methanol
1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide
CITALOPRAM HYDROBROMIDE [USP MONOGRAPH]
AC-1595
SCHEMBL1118
NCGC00260943-01
WIHMBLDNRMIGDW-UHFFFAOYSA-N
citalopram hydrobromide
Lu 10-171 HBr
EINECS 261-890-6
CITALOPRAM HYDROBROMIDE (USP IMPURITY)
SR-01000003129-4
1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile Hydrobromide
1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile monohydrobromide
Citalopram Hydrobromide, Pharmaceutical Secondary Standard; Certified Reference Material
SR-01000003129-10
1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile monohydrobromide
Celexa (TN)

MDL Number

MFCD02101306

Customs Code

2932999099

FAQ

What is 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide (CAS: 59729-32-7)?

1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide is a complex organic compound with the CAS number 59729-32-7. It is a hydrobromide salt of a dihydrobenzofuran derivative with a dimethylamino substituent and a fluorophenyl group. This compound is known for its unique chemical structure and potential applications in various fields.

What are the main uses of 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide (CAS: 59729-32-7)?

This compound is primarily used in pharmaceutical research for developing novel drugs and as an intermediate in organic synthesis. It may also have applications in chemical reagents and analytical tools.

Is 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide (CAS: 59729-32-7) safe?

The safety of this compound depends on its concentration and exposure. It is important to handle it with care due to its chemical nature. Always follow safety guidelines, wear appropriate protective equipment, and ensure proper ventilation. Avoid contact with skin and eyes. If you suspect exposure, seek medical attention immediately.

How should 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide (CAS: 59729-32-7) be stored?

Store this compound in a cool, dry place away from direct sunlight and sources of heat. Keep it in a tightly sealed container to prevent exposure to moisture and air. Ensure that the storage area is well-ventilated and secured to prevent unauthorized access. Do not store in proximity to flammable materials.