Abemaciclib Impurity 1

Basic Information

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CAS Number

1231930-33-8

Molecular Formula

C11H12BrFN2

Molecular Weight

271.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC1=NC2=C(N1C(C)C)C=C(C=C2F)Br

InChI

InChI=1S/C11H12BrFN2/c1-6(2)15-7(3)14-11-9(13)4-8(12)5-10(11)15/h4-6H,1-3H3

InChIKey

SJQZRZLUEGCXFN-UHFFFAOYSA-N

LogP

3.8272200000000023

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

237

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

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole
1H-Benzimidazole, 6-bromo-4-fluoro-2-methyl-1-(1-methylethyl)-
6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
6-Bromo-4-fluoro-1-isopropyl-2-methylbenzimidazole
6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzoimidazole
6-bromo-4-fluoro-2-methyl-1-(propan-2-yl)-1H-1,3-benzodiazole
SJQZRZLUEGCXFN-UHFFFAOYSA-N
BCP14302
SB15065
SY110852
ST2412229
AX8163911
X9551
CS-M2089
MFCD16660227
SCHEMBL2490112
6-bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole
6-Bromo-4-fluoro-1-isopropyl-2-methyl-benzimidazole
DB-107989
AKOS015920206
6-Bromo-4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazole
AS-19510
DTXSID90719275
1231930-33-8
AC-30667
AMY3372
A1-04248

MDL Number

MFCD16660227

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Abemaciclib Impurity 1 (CAS: 1231930-33-8)?

Abemaciclib Impurity 1 is a crystalline solid with a molecular weight of approximately 565.6 g/mol. It has a low solubility in water but is more soluble in polar organic solvents. Chemically, it exhibits moderate reactivity typical of its functional groups, including amide and ester functionalities. It is stable under normal storage conditions but may degrade under acidic or basic conditions.

How is Abemaciclib Impurity 1 (CAS: 1231930-33-8) typically synthesized?

Abemaciclib Impurity 1 is typically synthesized via a multi-step process involving the protection of a carboxylic acid, followed by amide formation, esterification, and subsequent deprotection. Common catalysts include acids like hydrochloric acid, and the process yields a high purity product with good selectivity. The exact steps and conditions vary depending on the starting materials and specific impurity profile.

What industries use Abemaciclib Impurity 1 (CAS: 1231930-33-8)?

Abemaciclib Impurity 1 is primarily used in the pharmaceutical industry as a quality control reference for the main drug substance, Abemaciclib. It is also of interest in research settings for studying drug metabolism and impurity profiles. While not directly applicable to polymers, sensors, or semiconductors, its presence in drug formulations is critical for ensuring product purity and efficacy.

What precautions should be taken when handling Abemaciclib Impurity 1 (CAS: 1231930-33-8)?

When handling Abemaciclib Impurity 1, appropriate Personal Protective Equipment (PPE) such as gloves, goggles, and lab coats is required. Work should be conducted in a fume hood to minimize exposure. Proper storage under inert conditions is essential to prevent degradation. In case of a spill, handle with care using appropriate absorbents and ensure the area is properly ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.