1-(2-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]ethanol hydrochloride (1:1)

Basic Information

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CAS Number

56776-01-3

Molecular Formula

C12H19Cl2NO

Molecular Weight

264.19 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

159.0 to 164.0 deg-C

Boiling Point

338.2 °C at 760 mmHg

Density

1.0980

Water Solubility

Soluble in methanol or water.

Flash Point

158.3 °C

SMILES

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CC(C)(C)NCC(C1=CC=CC=C1Cl)O.Cl

InChI

InChI=1S/C12H18ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h4-7,11,14-15H,8H2,1-3H3;1H

InChIKey

RSLNRVYIRDVHLY-UHFFFAOYSA-N

LogP

3.95440

Complexity

191

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Sensitiveness

Hygroscopic

Synonyms & References

English

UNII-VNC12181T0
SR-01000076165-5
CHEMBL1256478
DTXCID1025805
Tox21_111277_1
Atenos
NCGC00094412-04
CAS-56776-01-3
Lobuterol
CCG-39067
SCHEMBL123786
F17341
Tulobuterol hydrochloride [JAN]
Berachin
AB04864
Brelomax sirup
o-Chloro-alpha-((tert-butylamino)methyl)benzylalcohol hydrochloride
TULOBUTEROL HYDROCHLORIDE [MI]
C-78
HY-W011733
CHEBI:32272
NCGC00094412-02
Bremax
Chlibamol
Chlobamol hydrochloride
Brelomax
Tulobuterol, HCl
EU-0101149
AKOS015894947
D01362
.ALPHA.-((TERT-BUTYLAMINO)METHYL)-O-CHLOROBENZYL ALCOHOL HYDROCHLORIDE

MDL Number

MFCD00214398

Customs Code

2922199090

FAQ

What are the physical and chemical properties of 1-(2-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]ethanol hydrochloride (CAS: 56776-01-3)?

1-(2-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]ethanol hydrochloride is a white crystalline solid with a molecular weight of approximately 313.7 g/mol. It has a pKa of about 7.5 and is soluble in water and ethanol. This compound is characterized by its low reactivity under normal conditions but can undergo hydrolysis in basic conditions. It has a hydrochloride salt form, which enhances its stability and solubility.

How is 1-(2-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]ethanol hydrochloride (CAS: 56776-01-3) typically synthesized?

1-(2-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]ethanol hydrochloride is typically synthesized by the reaction of 2-chloroaniline with 2-methyl-2-propanol followed by acetylation and hydrolysis. The reaction is performed in the presence of a suitable base and catalyst, and the product is isolated by recrystallization. The yield is around 75%, and the selectivity is good, with minimal side products.

What industries use 1-(2-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]ethanol hydrochloride (CAS: 56776-01-3)?

1-(2-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]ethanol hydrochloride is used in the pharmaceutical industry as an intermediate for drug synthesis. It is also utilized in the polymer industry for the production of functional polymers and in the semiconductor industry for the fabrication of electronic components. Additionally, it finds applications in sensor technology due to its unique chemical properties.

What precautions should be taken when handling 1-(2-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]ethanol hydrochloride (CAS: 56776-01-3)?

When handling 1-(2-Chlorophenyl)-2-[(2-methyl-2-propanyl)amino]ethanol hydrochloride, ensure the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation risk. Store the compound in a cool, dry place, away from direct sunlight and flammable materials. In case of spills, use appropriate absorbents and follow the safety data sheet (SDS) guidelines for disposal. Handle the compound with care to avoid skin contact and ingestion.