[(3-Bromopropoxy)methyl]benzene

Basic Information

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CAS Number

54314-84-0

Molecular Formula

C10H13BrO

Molecular Weight

229.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

No data available

Boiling Point

141°C/14mmHg

Density

1.298 g/mL at 25 °C

Water Solubility

Slightly soluble in water.

Refractive Index

n20/D 1.531(lit.)

SMILES

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C1=CC=C(C=C1)COCCCBr

InChI

InChI=1S/C10H13BrO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2

InChIKey

PSUXTZLDBVEZTD-UHFFFAOYSA-N

LogP

2.9882000000000017

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

100

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

FT-0640236
BCP20136
EN300-213748
3-benzyloxy-1-bromopropane
1-benzyloxy-3-bromopropane
SCHEMBL281251
J-519787
benzyl(3-bromopropyl)ether
O-benzyl-3-bromo-1-propanol
AM20060664
(3-bromo-propoxymethyl)-benzene
AKOS009156987
GS-4251
AC-25475
BENZYL3-BROMOPROPYLETHER
PSUXTZLDBVEZTD-UHFFFAOYSA-N
benzyl3-bromopropyl ether
CS-W001590
benzyl 3-bromo-propyl ether
MFCD00134570
3-benzyloxypropyl bromide
3-bromopropyl phenylmethyl ether
((3-Bromopropoxy)methyl)benzene
3-benzyloxypropylbromide
benzyl (3-bromopropyl) ether
SY013896
B2818
1-bromo-3-benzyloxypropane
3-bromopropylbenzyl ether
[(3-bromopropoxy)methyl]benzene
DTXSID10379794

MDL Number

MFCD00134570

Customs Code

2909309090

FAQ

What regulatory guidelines apply to [(3-Bromopropoxy)methyl]benzene (CAS: 54314-84-0)?

[(3-Bromopropoxy)methyl]benzene (CAS: 54314-84-0) falls under the scope of various regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it must be classified and labelled according to its hazardous properties. In the European Union, it is regulated under REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) to ensure it meets stringent safety and environmental standards. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific requirements for its handling and disposal, including proper storage and transportation to prevent environmental contamination.

Are there alternatives to [(3-Bromopropoxy)methyl]benzene (CAS: 54314-84-0) in synthesis?

Several alternatives to [(3-Bromopropoxy)methyl]benzene (CAS: 54314-84-0) are available in synthesis, depending on the specific application. For example, analogs such as (2-Bromopropoxy)methyl]benzene or isomers like [2-(2-Bromopropoxy)ethyl]benzene can be used. Common alternative reagents include bromopropanol or propyl bromide, which can be used in similar synthetic pathways to achieve similar functional groups. These alternatives provide flexibility in chemical synthesis, offering more sustainable and less hazardous options where applicable.

What is the market or research trend for [(3-Bromopropoxy)methyl]benzene (CAS: 54314-84-0)?

The market for [(3-Bromopropoxy)methyl]benzene (CAS: 54314-84-0) is driven by its use in pharmaceuticals, as a precursor in the synthesis of certain drugs. Research trends indicate a growing interest in developing more efficient and environmentally friendly synthetic routes. With increasing regulatory pressure and a focus on sustainability, there is a trend towards exploring alternative reagents and processes that minimize environmental impact. Additionally, advancements in green chemistry and the need for safer chemicals are driving innovation in this area.

How should waste containing [(3-Bromopropoxy)methyl]benzene (CAS: 54314-84-0) be handled?

Waste containing [(3-Bromopropoxy)methyl]benzene (CAS: 54314-84-0) should be managed according to the regulations specified under the Globally Harmonized System (GHS) and local environmental laws. Proper collection and segregation of waste are essential. Incineration is a common method for disposing of such waste, but it must be conducted in a professional incineration facility to ensure complete destruction and minimize environmental impact. Environmental protection measures include proper ventilation, protective clothing, and the use of safety equipment to prevent spillage and inhalation. Additionally, it is crucial to follow local guidelines for hazardous waste disposal to avoid contamination of soil and water resources.