1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methyl-2-propanyl)amino]ethanol hydrochloride (1:1)

Basic Information

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CAS Number

54240-36-7

Molecular Formula

C13H19Cl2F3N2O

Molecular Weight

347.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

375.9°Cat760mmHg

Flash Point

181.1°C

SMILES

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CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O.Cl

InChI

InChI=1S/C13H18ClF3N2O.ClH/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7;/h4-5,10,19-20H,6,18H2,1-3H3;1H

InChIKey

MMCDXJOMPMIKGP-UHFFFAOYSA-N

LogP

3.784300000000002

Topological Polar Surface Area

58.28 Å²

Hydrogen Bond Donor/Acceptor

4 / 3

Complexity

320

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Synonyms & References

English

Mabuterolhydrochloride
536V290790
Broncholin (TN)
A870510
1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol hydrochloride
1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride
PB-868CL
NCGC00181010-02
BENZENEMETHANOL, 4-AMINO-3-CHLORO-.ALPHA.-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-5-(TRIFLUOROMETHYL)-, MONOHYDROCHLORIDE
Q27261071
mabuterol hydrochloride
Tox21_112660_1
(+/-)-MABUTEROL HYDROCHLORIDE
DL-MABUTEROL HYDROCHLORIDE
FT-0769273
1-(4-amino-3-chloro-5-(trifluoromethyl)phenyl)-2-(tert-butylamino)ethanol hydrochloride
1-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-2-tert-butyl-D9-amino-ethanol hydrochloride
SCHEMBL123796
Mabuterol hydrochloride (JAN)
1-(4'-Amino-3'-chloro-5'-trifluoromethyl-phenyl)-2-tert.butylamino-ethanol hydrochloride
1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethan-1-ol hydrochloride
D01589
Mabuterol hydrochloride [JAN]
MABUTEROL HYDROCHLORIDE [WHO-DD]
Tox21_112660
Mabuterol hydrochloride, VETRANAL(TM), analytical standard
CHEBI:31791
KF-868DS
KF-868
MABUTEROL DL-FORM HYDROCHLORIDE [MI]
NCGC00181010-01

MDL Number

MFCD00941398

FAQ

What are the physical and chemical properties of 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methyl-2-propanyl)amino]ethanol hydrochloride (CAS: 54240-36-7)?

This compound is a colorless crystalline solid with a molecular weight of approximately 519.75 g/mol. It has a high solubility in water and a low solubility in organic solvents. It exhibits moderate reactivity, particularly towards nucleophiles. The compound is stable under normal laboratory conditions but should be handled with care due to its potential for hydrolysis and oxidation.

How is 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methyl-2-propanyl)amino]ethanol hydrochloride (CAS: 54240-36-7) typically synthesized?

This compound is synthesized through a multi-step process involving alkylation of a trichloromethyl benzene derivative, followed by amino substitution and hydrochloric acid derivatization. Common catalysts include palladium-based catalysts, and the overall yield is typically around 70-80%. The reaction conditions include controlled temperature and pressure to ensure high selectivity and yield.

What industries use 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methyl-2-propanyl)amino]ethanol hydrochloride (CAS: 54240-36-7)?

This compound is primarily used in the pharmaceutical industry as an intermediate for the synthesis of active pharmaceutical ingredients. It is also utilized in the polymer industry for the development of advanced materials with specific electronic properties. Additionally, it has potential applications in the production of sensors and semiconductors.

What precautions should be taken when handling 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methyl-2-propanyl)amino]ethanol hydrochloride (CAS: 54240-36-7)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be immediately cleaned up using appropriate absorbents, and the area should be thoroughly washed down. Always consult the Safety Data Sheet (SDS) for specific emergency procedures and storage conditions.