Benzyl (2-bromoethyl)carbamate

Basic Information

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CAS Number

53844-02-3

Molecular Formula

C10H12BrNO2

Molecular Weight

258.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

361.1℃ at 760 mmHg

Density

1.428

Flash Point

172.2℃

SMILES

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BrCCNC(=O)OCc1ccccc1

InChI

InChI=1S/C10H12BrNO2/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)

InChIKey

HREXFDIZSAUXBO-UHFFFAOYSA-N

LogP

2.3077000000000005

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Synonyms & References

English

Benzyl (2-bromoethyl)carbamate
BENZYL 2-BROMOETHYLCARBAMATE
Benzyl N-(2-bromoethyl)carbamate
N-CBZ-2-BROMOETHYLAMINE
N-Cbz-3-bromoethylamine
2-Bromo-N-(benzyloxycarbonyl)ethylamine
2-Benzyloxycarbonylaminoethyl bromide
N-Benzyloxycarbonyl-2-bromoethylamine
NSC 128581
benzyl N-(2-bromoethyl)carbamate

MDL Number

MFCD09909490

Customs Code

2924299090

FAQ

What regulatory guidelines apply to Benzyl (2-bromoethyl)carbamate (CAS: 53844-02-3)?

Benzyl (2-bromoethyl)carbamate (CAS: 53844-02-3) falls under the GHS (Global Harmonized System of Classification and Labeling of Chemicals) as a hazardous substance. Regulatory compliance includes adhering to REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) in the European Union, ensuring it meets FDA (Food and Drug Administration) and EPA (Environmental Protection Agency) requirements for handling, storage, and transportation in the United States. Special attention must be given to its flammability, reactivity, and toxicity based on the specific regulatory framework applicable in the region.

Are there alternatives to Benzyl (2-bromoethyl)carbamate (CAS: 53844-02-3) in synthesis?

While Benzyl (2-bromoethyl)carbamate (CAS: 53844-02-3) serves as a valuable precursor in organic synthesis, alternatives include other N-acyl carbamates or substituted carbamates that can offer similar reactivity and functional group manipulation capabilities. Common alternatives include ethyl carbamate and benzyl carbamate, which may be used depending on the specific synthetic pathway and desired product characteristics.

What is the market or research trend for Benzyl (2-bromoethyl)carbamate (CAS: 53844-02-3)?

The market for Benzyl (2-bromoethyl)carbamate (CAS: 53844-02-3) reflects a growing interest in its use as a key intermediate in drug discovery and synthesis of bioactive compounds. Research trends highlight its application in developing novel pharmaceuticals and agrochemicals. Emerging studies focus on its use in asymmetric synthesis and chiral pool chemistry, which are driving advancements in the field of organic synthesis and medicinal chemistry.

How should waste containing Benzyl (2-bromoethyl)carbamate (CAS: 53844-02-3) be handled?

Waste containing Benzyl (2-bromoethyl)carbamate (CAS: 53844-02-3) should be collected in appropriate containers and stored in a well-ventilated area to prevent degradation and exposure. Incineration is a common method for waste disposal, requiring the use of specialized facilities to ensure proper combustion and minimize emissions. Professional waste disposal services specializing in hazardous waste management are recommended to handle large quantities or to ensure compliance with local environmental regulations. Additional precautions include proper labeling and documentation of waste disposal procedures to ensure safety and regulatory adherence.