Anastrozole EP Impurity C

Basic Information

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CAS Number

120511-84-4

Molecular Formula

C15H17BrN2

Molecular Weight

305.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

98-100 ºC

SMILES

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CC(C)(C#N)C1=CC(=CC(=C1)CBr)C(C)(C)C#N

InChI

InChI=1S/C15H17BrN2/c1-14(2,9-17)12-5-11(8-16)6-13(7-12)15(3,4)10-18/h5-7H,8H2,1-4H3

InChIKey

IHXHGCDOJLOZML-UHFFFAOYSA-N

LogP

4.18386

Complexity

357

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Synonyms & References

English

Q-100987
OIS19A3U1G
3,5-bis(2-cyanoprop-2-yl)benzyl bromide
3,5-bis-(1-cyano-1-methylethyl)benzylbromide
MFCD07782114
3,5-bis(1-cyano-1-methylethyl) benzyl bromide
Anastrozole impurity C [EP]
C15H17BrN2
2-[3-(bromomethyl)-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile
CS-0179353
FT-0642941
alpha,alpha,alpha',alpha'-tetramethyl-5-bromomethyl-1,3-benzene-diacetonitrile
?,?,?',?'-Tetramethyl-5-bromomethyl-1,3-benzenediacetonitrile
AKOS015889686
5-BROMOMETHYL ANASTROZOLE [USP IMPURITY]
2,2-(5-(Bromomethyl)benzene-1,3-diyl)bis(2-methylpropanenitrile)
AC-6804
2,2'-(5-BROMOMETHYL-1,3-PHENYLENE)-DI-(2-METHYLPROPIONITRILE)
Anastrozole Impurity IV
2-[3-(Bromomethyl)-5-(1-cyano-1-methylethyl)-phenyl]-2-methylpropanenitrile
DTXSID30468018
BCP08812
5-(Bromomethyl)-a,a,a',a'-tetramethyl-1,3-benzenediacetonitrile
SY028595
SCHEMBL2258695
2,2'-(5-(Bromomethyl)-1,3-phenylene)bis(2-methylpropanenitrile) (Anastrozole Impurity)
5-Bromomethyl anastrozole [USP]
ANASTROZOLE IMPURITY C [EP IMPURITY]
F12198
A inverted exclamation mark,
DS-15010

MDL Number

MFCD07782114

Customs Code

2926909090

FAQ

What are the physical and chemical properties of Anastrozole EP Impurity C (CAS: 120511-84-4)?

Anastrozole EP Impurity C (CAS: 120511-84-4) is a white to off-white crystalline compound with a molecular weight of approximately 308.34 g/mol. It has a melting point of about 150-155°C and is slightly soluble in water. It is unstable under basic conditions and shows some reactivity with strong oxidizing agents. This impurity is often characterized by its specific UV absorption and chromatographic behavior.

How is Anastrozole EP Impurity C (CAS: 120511-84-4) typically synthesized?

Anastrozole EP Impurity C (CAS: 120511-84-4) is synthesized through a series of chemical reactions starting from benzene derivatives. The process involves a Friedel-Crafts alkylation, followed by oxidation and hydrolysis steps. The reaction conditions typically require the use of Lewis acids and strong oxidizing agents. The synthesis yields a mixture of products, including the desired impurity, with selectivity and yield varying depending on the specific reaction conditions.

What industries use Anastrozole EP Impurity C (CAS: 120511-84-4)?

Anastrozole EP Impurity C (CAS: 120511-84-4) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of anastrozole, a breast cancer treatment. It is also of interest in analytical chemistry for quality control and impurity profiling of anastrozole products.

What precautions should be taken when handling Anastrozole EP Impurity C (CAS: 120511-84-4)?

Handling Anastrozole EP Impurity C (CAS: 120511-84-4) requires the use of personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood. Spills should be cleaned up using appropriate absorbent materials, followed by thorough rinsing with water. For detailed safety information, refer to the Safety Data Sheet (SDS) provided by the manufacturer.