Baricitinib Impurity 21

Basic Information

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CAS Number

335654-06-3

Molecular Formula

C6H4ClN3

Molecular Weight

153.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

228-231°C

Boiling Point

318.3°C at 760 mmHg

Flash Point

146.285℃

SMILES

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C1=CNC2=NC(=NC=C21)Cl

InChI

InChI=1S/C6H4ClN3/c7-6-9-3-4-1-2-8-5(4)10-6/h1-3H,(H,8,9,10)

InChIKey

HJOQGBBHVRYTDX-UHFFFAOYSA-N

LogP

1.6112999999999997

Topological Polar Surface Area

41.57 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

130

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

SCHEMBL167083
SY009624
BCP26397
CS-M3681
AKOS028109459
AM20090512
2-Chloro-7H-pyrrolo[2,3-d]pyrimidine
2-Chloro-7H-pyrrolo[2,3-d]pyrimidine, AldrichCPR
DTXSID00420729
MFCD07787392
A5976
AC-24734
Z1198175094
J-508991
2-chloro-7H-pyrrolo-[2,3-d]pyrimidine
2-CHLORO-7H-PYRROLO[2 pound not3-D]PYRIMIDINE
2-chloropyrrolo[2,3-d]pyrimidine
2-Chloro-1H-pyrrolo[2,3-d]pyrimidine
335654-06-3
FT-0648541
EN300-116588
A15755
PS-6057
AKOS005259681
1H-Pyrrolo[2,3-d]pyrimidine, 2-chloro-
HJOQGBBHVRYTDX-UHFFFAOYSA-N
7H-Pyrrolo[2,3-d]pyrimidine, 2-chloro-
2-chloro-7H-pyrrolo[2,3-d]pyrimidine

MDL Number

MFCD07787392

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Baricitinib Impurity 21 (CAS: 335654-06-3)?

Baricitinib Impurity 21 is a crystalline solid with a molecular weight of approximately 347.33 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and dimethyl sulfoxide. It is rather stable under normal conditions but can react with strong oxidizing agents.

How is Baricitinib Impurity 21 (CAS: 335654-06-3) typically synthesized?

Baricitinib Impurity 21 is synthesized through a series of organic reactions, including alkylation and cyclization. The process involves the use of a palladium catalyst for cross-coupling reactions and careful temperature control to achieve high yield and selectivity.

What industries use Baricitinib Impurity 21 (CAS: 335654-06-3)?

Baricitinib Impurity 21 is primarily used in the pharmaceutical industry for quality control and impurity profiling of baricitinib, a JAK inhibitor used in the treatment of autoimmune diseases. It is also of interest in academic and research settings for studying the effects of impurities in drug development.

What precautions should be taken when handling Baricitinib Impurity 21 (CAS: 335654-06-3)?

When handling Baricitinib Impurity 21, it should be done in a well-ventilated area or a fume hood. Wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Handle in a spill-proof container to prevent contamination and dispose of waste according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed safety information.