Bendamustine Related Impurity 18

Basic Information

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CAS Number

3543-72-4

Molecular Formula

C14H17N3O4

Molecular Weight

291.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

112-114°C

Boiling Point

481 °C at 760 mmHg

Density

1.3

Flash Point

244.7 °C

Refractive Index

1.599

SMILES

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O=C(OCC)CCCC1=NC2=CC([N+]([O-])=O)=CC=C2N1C

InChI

InChI=1S/C14H17N3O4/c1-3-21-14(18)6-4-5-13-15-11-9-10(17(19)20)7-8-12(11)16(13)2/h7-9H,3-6H2,1-2H3

InChIKey

VJVBGSJZBDBEIF-UHFFFAOYSA-N

LogP

2.89050

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

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

Synonyms & References

English

Ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate
1-Methyl-5-nitro-1H-benzimidazole-2-butanoic Acid Ethyl Ester
1-Methyl-5-nitro-1H-
Ethyl 4-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)butanoate

MDL Number

MFCD09840985

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Bendamustine Related Impurity 18 (CAS: 3543-72-4)?

Bendamustine Related Impurity 18 (CAS: 3543-72-4) is a crystalline compound with a molecular weight of approximately 338.37 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and ethanol. The impurity is moderately reactive and can undergo nucleophilic substitution reactions under certain conditions. It typically forms a white or off-white solid at room temperature.

How is Bendamustine Related Impurity 18 (CAS: 3543-72-4) typically synthesized?

Bendamustine Related Impurity 18 (CAS: 3543-72-4) is synthesized through a multi-step process involving the modification of 2-chloro-N,N-diethylbenzamine. The synthesis typically requires the use of a Lewis acid catalyst and proceeds via a nucleophilic substitution reaction. The overall yield is moderate, and the process is optimized for selectivity and purity.

What industries use Bendamustine Related Impurity 18 (CAS: 3543-72-4)?

Bendamustine Related Impurity 18 (CAS: 3543-72-4) is primarily used in the pharmaceutical industry as a quality control and impurity reference in the production of bendamustine, a chemotherapy agent. It is also of interest in the research and development of related compounds for cancer therapy.

What precautions should be taken when handling Bendamustine Related Impurity 18 (CAS: 3543-72-4)?

When handling Bendamustine Related Impurity 18 (CAS: 3543-72-4), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly decontaminated. Refer to the Safety Data Sheet (SDS) for detailed guidelines on handling and disposal.