Atomoxetine Impurity 19

Basic Information

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CAS Number

18776-12-0

Molecular Formula

C9H11ClO

Molecular Weight

170.64 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Solid

Melting Point

31.0 to 36.0 deg-C

Boiling Point

116°C/4mmHg

SMILES

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C1=CC=C(C=C1)C(CCCl)O

InChI

InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2

InChIKey

JZFUHAGLMZWKTF-UHFFFAOYSA-N

LogP

2.3489000000000004

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

99.7

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

MFCD00075128
SCHEMBL525669
JZFUHAGLMZWKTF-UHFFFAOYSA-N
benzenemethanol, alpha-(2-chloroethyl)-
BCP12491
3-chloro-1-phenyl propanol
MFCD09878800
DS-13210
J-012087
alpha-(2-Chloroethyl)benzyl alcohol
3-Chloro-1-phenyl-1-propanol
SB44472
racemic 3-chloro-1-phenyl-1-propanol
CS-W019837
SY021625
3-chloro-1-phenylpropanol
MFCD00013309
EN300-154529
3-Chloro-1-phenyl-propanol
SY021671
A23534
C2904
BB 0240838
A-(2-Chloroethyl)benzenemethanol
3-Chloro-1-phenyl-propan-1-ol
rac 3-Chloro-1-phenylpropanol
FT-0601029
AKOS000321631
FT-0642419
18776-12-0

MDL Number

MFCD09878800

FAQ

What are the physical and chemical properties of Atomoxetine Impurity 19 (CAS: 18776-12-0)?

Atomoxetine Impurity 19 (CAS: 18776-12-0) is a crystalline solid with a molecular weight of approximately 325.34 g/mol. It has a low water solubility and moderate solubility in organic solvents. The compound is relatively stable under normal conditions but may react with strong oxidizing agents. It is important to handle it under appropriate conditions to prevent degradation.

How is Atomoxetine Impurity 19 (CAS: 18776-12-0) typically synthesized?

Atomoxetine Impurity 19 (CAS: 18776-12-0) is typically synthesized through a series of organic reactions involving functional group transformations and selective chemistry. Commonly, the synthesis involves protecting groups and acid-base reactions to achieve the desired impurity structure. The process often uses mild conditions and specific catalysts to ensure high yield and selectivity.

What industries use Atomoxetine Impurity 19 (CAS: 18776-12-0)?

Atomoxetine Impurity 19 (CAS: 18776-12-0) is primarily used in the pharmaceutical industry, particularly in the development and quality control of Atomoxetine, a selective norepinephrine reuptake inhibitor used for the treatment of ADHD. It is also relevant in analytical chemistry for impurity profiling and stability studies.

What precautions should be taken when handling Atomoxetine Impurity 19 (CAS: 18776-12-0)?

When handling Atomoxetine Impurity 19 (CAS: 18776-12-0), it is essential to use appropriate personal protective equipment (PPE), including gloves and laboratory coats. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately using appropriate procedures and materials. Always refer to the safety data sheet (SDS) for detailed handling and disposal information.