1-(2-Chlorophenyl)-2-(isopropylamino)ethanol

Basic Information

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CAS Number

3811-25-4

Molecular Formula

C11H16ClNO

Molecular Weight

213.71 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

329.7oC at 760 mmHg

Density

1.117

Flash Point

153.2 oC

Refractive Index

1.536

SMILES

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

InChI

InChI=1S/C11H16ClNO/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12/h3-6,8,11,13-14H,7H2,1-2H3

InChIKey

SSMSBSWKLKKXGG-UHFFFAOYSA-N

LogP

2.3714000000000004

Topological Polar Surface Area

32.26 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

163

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

1-(2-CHLOROPHENYL)-2-[(PROPAN-2-YL)AMINO]ETHAN-1-OL
1-(2-Chlorphenyl)-2-isopropylaminoethanol
NS00009158
AKOS010125624
CHEBI:146226
AB01565769_02
o-Chloro-.alpha.-[(isopropylamino)methyl]benzyl alcohol
Z666296432
CLORPRENALINE [WHO-DD]
Clorprenalina [INN-Spanish]
1-(2-Chlorophenyl)-2-isopropylaminoethanol
o-Chloro-alpha-((isopropylamino)methyl)benzyl alcohol
AMY11139
SCHEMBL250611
Clorprenaline 100 microg/mL in Acetonitrile
InChI=1/C11H16ClNO/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12/h3-6,8,11,13-14H,7H2,1-2H
NCGC00167538-01
Clorprenaline,(S)
L 20025
DTXSID3048316
AB07467
ORTHO-CHLORO-.ALPHA.((ISOPROPYLAMINO)METHYL)BENZYL ALCOHOL
EINECS 223-291-8
1-(2-Chlorophenyl)-2-(isopropylamino)ethanol #
3W4327W76O
Benzenemethanol, 2-chloro-.alpha.-[[(1-methylethyl)amino]methyl]-
Clorprenaline-D7
CLORPRENALINE [INN]
C90468
1ST1313D7
Clorprenaline [INN:BAN]

MDL Number

MFCD00864144

Customs Code

2922199090

FAQ

What are the physical and chemical properties of 1-(2-Chlorophenyl)-2-(isopropylamino)ethanol (CAS: 3811-25-4)?

1-(2-Chlorophenyl)-2-(isopropylamino)ethanol (CAS: 3811-25-4) is a crystalline solid with a molecular weight of approximately 232.65 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound exhibits moderate reactivity, particularly towards nucleophilic substitution reactions. It is stable under normal conditions but should be stored in a cool, dark place to avoid photodegradation.

How is 1-(2-Chlorophenyl)-2-(isopropylamino)ethanol (CAS: 3811-25-4) typically synthesized?

1-(2-Chlorophenyl)-2-(isopropylamino)ethanol (CAS: 3811-25-4) is typically synthesized via a multistep process involving the coupling of 2-chlorophenyl isocyanide with 2-(isopropylamino)ethanol. This reaction is catalyzed by a mild base like triethylamine and typically yields a mixture of products, with the desired isomer being isolated and purified using column chromatography.

What industries use 1-(2-Chlorophenyl)-2-(isopropylamino)ethanol (CAS: 3811-25-4)?

1-(2-Chlorophenyl)-2-(isopropylamino)ethanol (CAS: 3811-25-4) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also utilized in the production of some sensor materials and in polymer chemistry for specific applications. Its unique chemical properties make it valuable in these industries for its catalytic and reactivity characteristics.

What precautions should be taken when handling 1-(2-Chlorophenyl)-2-(isopropylamino)ethanol (CAS: 3811-25-4)?

When handling 1-(2-Chlorophenyl)-2-(isopropylamino)ethanol (CAS: 3811-25-4), proper personal protective equipment (PPE) must be worn, including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be handled with caution using absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.