1-Bromo-4-(2-methyl-2-propanyl)benzene

Basic Information

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CAS Number

3972-65-4

Molecular Formula

C10H13Br

Molecular Weight

213.12 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

13-16 °C

Boiling Point

80-81 °C/2 mmHg

Water Solubility

Insoluble in water.

Refractive Index

n20/D 1.533(lit.)

SMILES

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CC(C)(C)C1=CC=C(C=C1)Br

InChI

InChI=1S/C10H13Br/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3

InChIKey

XHCAGOVGSDHHNP-UHFFFAOYSA-N

LogP

3.7466000000000026

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

115

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

STR07177
1-Bromo-4-(tert-butyl)benzene, tech
MFCD00000108
p-bromo-(t-butyl)benzene
1-Bromo-4-(1,1-dimethylethyl)benzene
4-bromo t-butylbenzene
1-Bromo-4-t-butylbenzene
AC-15868
NS00030656
Z299596150
4-(tert-butyl)bromobenzene
4-t-butylphenylbromide
4-tert-butyl bromobenzene
AMY8909
EN300-44302
B1727
p-Bromo-t-butylbenzene
p-Bromo-tert-butylbenzene
p-tert-butyl bromo benzene
SCHEMBL5758
EINECS 223-599-2
1-bromo-4-tert-butylbenzol
DTXSID70192805
AC7891
4-t-Butylbromobenzene
AKOS000202546
4-tert-Butylphenyl Bromide
1-BROMO-p-t-BUTYLBENZENE
J-800268
4-Bromo-tert-butylbenzene
1-bromo-4-tertbutylbenzene

MDL Number

MFCD00000108

Customs Code

29036990

FAQ

What is 1-Bromo-4-(2-methyl-2-propanyl)benzene (CAS: 3972-65-4)?

1-Bromo-4-(2-methyl-2-propanyl)benzene is an organic brominated compound with the CAS number 3972-65-4. It consists of a benzene ring substituted with a bromine atom at the 1-position and a tert-butyl group at the 4-position. This compound is known for its stability and is commonly used in chemical synthesis due to its reactivity and structural versatility.

What are the main uses of 1-Bromo-4-(2-methyl-2-propanyl)benzene (CAS: 3972-65-4)?

1-Bromo-4-(2-methyl-2-propanyl)benzene is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis, particularly in the production of various derivatives. In industrial settings, it serves as an intermediate in the manufacture of specialty chemicals and can be used in research for studying reaction mechanisms and functional group transformations.

Is 1-Bromo-4-(2-methyl-2-propanyl)benzene (CAS: 3972-65-4) safe?

1-Bromo-4-(2-methyl-2-propanyl)benzene is considered hazardous due to its potential to cause skin and eye irritation. It should be handled with appropriate personal protective equipment (PPE), including gloves and safety goggles. Safety standards recommend working in a well-ventilated area and following proper disposal protocols to minimize environmental and health risks.

How should 1-Bromo-4-(2-methyl-2-propanyl)benzene (CAS: 3972-65-4) be stored?

This compound should be stored in a cool, dry, and dark place to maintain stability. It is recommended to keep it in a sealed container, away from heat sources and incompatible materials. Storage at temperatures below 25°C and in a low-humidity environment is essential to prevent degradation and ensure safety.