2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}aniline hydrochloride

Basic Information

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CAS Number

611-75-6

Molecular Formula

C14H21Br2ClN2

Molecular Weight

412.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Powder

Melting Point

240-244 ºC

Boiling Point

441.5 oC at 760 mmHg

Flash Point

220.8 oC

Vapor Pressure

No data available

SMILES

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CN(CC1=C(C(=CC(=C1)Br)Br)N)C2CCCCC2.Cl

InChI

InChI=1S/C14H20Br2N2.ClH/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17;/h7-8,12H,2-6,9,17H2,1H3;1H

InChIKey

UCDKONUHZNTQPY-UHFFFAOYSA-N

LogP

4.980100000000003

Topological Polar Surface Area

29.259999999999998 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

256

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

Pharmakon1600-01503107
Q-200754
Hydrochloride, Bromhexine
N-Cyclohexyl-N-methyl-(2-amino-3,5-dibromobenzyl)ammonium chloride
2,4-Dibromo-6-((cyclohexyl(methyl)amino)methyl)anilinehydrochloride
EINECS 210-280-8
MFCD00056626
A833075
Benzylamine, 2-amino-N-cyclohexyl-3,5-dibromo-N-methyl-, hydrochloride
Toluene-alpha,2-diamine, 3,5-dibromo-N(sup alpha)-cyclohexyl-N-(sup alpha)-methyl-, monohydrochloride
BROMHEXINE HYDROCHLORIDE [MI]
3,5-DIBROMO-N(SUP .ALPHA.)-CYCLOHEXYL-N(SUP .ALPHA.)-METHYLTOLUENE-.ALPHA.,2-DIAMINE MONOHYDROCHLORIDE
BROMHEXINE HYDROCHLORIDE (MART.)
EN300-651495
HMS1922E19
Bromohexine Hydrochloride,(S)
Bromhexine hydrochloride
2,4-Dibromo-6-((cyclohexyl(methyl)amino)methyl)aniline hydrochloride
NSC-758383
DTXSID0045886
N-(2-Amino-3,5-dibromobenzyl)-N-methyl-cyclohexylammonium chloride
611-75-6 (HCl)
BROMHEXINE HYDROCHLORIDE [USAN]
Bromohexine hydrochloride
BROMHEXINE HYDROCHLORIDE [JAN]
Q27114269
Ophtolsol
NA-274
3,5-Dibromo-N(sup alpha)-cyclohexyl-N(sup alpha)-methyltoluene-alpha,2-diamine monohydrochloride
Tox21_111385_1
3,5-dibromo-N(alpha)-cyclohexyl-N(alpha)-methyltoluene-alpha,2-diamine monohydrochloride

MDL Number

MFCD00056626

Customs Code

2921590090

FAQ

What is 2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}aniline hydrochloride (CAS: 611-75-6)?

2,4-Dibromo-6-{[cyclohexyl(methyl)amino]methyl}aniline hydrochloride (CAS: 611-75-6) is a brominated aniline derivative with the chemical formula C14H19Br2N. It features a substituted aniline ring with cyclohexyl and methyl amino groups, making it a key intermediate in organic synthesis. The hydrochloride salt form enhances its solubility in aqueous solutions, and it is known for its stability under controlled conditions.

What are the main uses of 2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}aniline hydrochloride (CAS: 611-75-6)?

This compound is primarily used in pharmaceutical research as a building block for drug development, particularly in creating bioactive molecules. It also serves in industrial applications such as dye manufacturing and as a precursor for other organic chemicals. Its unique structure makes it valuable in synthesizing compounds with specific functional groups for medicinal and chemical purposes.

Is 2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}aniline hydrochloride (CAS: 611-75-6) safe?

Safety precautions are essential when handling 2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}aniline hydrochloride (CAS: 611-75-6). It may cause skin and eye irritation, and inhalation or ingestion can be harmful. Always use gloves, goggles, and a fume hood. Follow OSHA guidelines and ensure proper ventilation to minimize exposure risks.

How should 2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}aniline hydrochloride (CAS: 611-75-6) be stored?

Store 2,4-dibromo-6-{[cyclohexyl(methyl)amino]methyl}aniline hydrochloride (CAS: 611-75-6) in a cool, dry, and dark place, preferably at 25°C. Keep it in sealed, airtight containers to prevent moisture and contamination. Avoid exposure to heat, direct sunlight, and incompatible substances to maintain stability and safety.