1-Bromo-3-methyl-5-nitrobenzene

Basic Information

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CAS Number

52488-28-5

Molecular Formula

C7H6BrNO2

Molecular Weight

216.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

83-85 ºC

Boiling Point

269.5 ºC

Density

1.615±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

120.0±21.8 ºC,

Refractive Index

1.6120 (estimate)

SMILES

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CC1=CC(=CC(=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C7H6BrNO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3

InChIKey

MWFDNXJPZUOTJB-UHFFFAOYSA-N

LogP

3.18890

Complexity

157

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

AC-23465
3-BROMO-5-NITROTLOLUENE
AKOS015969438
(-)-ephedrin
FT-0640072
3-Bromo-5-nitrotoluene
52488-28-5
A15617
1-bromo-3-methyl-5-nitrobenzene;3-Bromo-5-nitrotoluene
BCP26878
CS-0153266
AB26378
NS00032515
1-bromo-3-methyl-5-nitrobenzene
SY013063
EINECS 257-955-3
AMY40730
AS-18924
MFCD06659815
SCHEMBL810499
EN300-100538
Benzene, 1-bromo-3-methyl-5-nitro-
DTXSID00200482
MWFDNXJPZUOTJB-UHFFFAOYSA-N
CL8829
1-Bromo-3-methyl-5-nitrobenzene
Benzene,1-bromo-3-methyl-5-nitro-
1-bromo-3-methyl-5-nitro-benzene

MDL Number

MFCD06659815

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 1-Bromo-3-methyl-5-nitrobenzene (CAS: 52488-28-5)?

1-Bromo-3-methyl-5-nitrobenzene is a crystalline solid with a molecular weight of approximately 222.04 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is known for its reactivity towards nucleophiles and its ability to undergo substitution reactions. It is also prone to nitro group reduction and bromine substitution reactions.

How is 1-Bromo-3-methyl-5-nitrobenzene (CAS: 52488-28-5) typically synthesized?

1-Bromo-3-methyl-5-nitrobenzene is commonly synthesized by bromination of 3-methyl-5-nitrobenzoic acid followed by bromination. This process involves using bromine in the presence of a Lewis acid catalyst like aluminum bromide to introduce the bromine substituent. The reaction is typically carried out in an organic solvent such as dichloromethane at a temperature around 0°C to improve yield and selectivity.

What industries use 1-Bromo-3-methyl-5-nitrobenzene (CAS: 52488-28-5)?

1-Bromo-3-methyl-5-nitrobenzene is used in the pharmaceutical industry for the synthesis of various drugs and intermediates. It is also utilized in the polymer industry for the development of advanced materials. Additionally, this compound finds applications in the production of sensors and semiconductors due to its electronic properties.

What precautions should be taken when handling 1-Bromo-3-methyl-5-nitrobenzene (CAS: 52488-28-5)?

When handling 1-Bromo-3-methyl-5-nitrobenzene, it is essential to use appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Storage should be in a well-ventilated area, and the compound should be kept away from heat and open flames. Spills should be immediately cleaned up using appropriate procedures, and the Material Safety Data Sheet (MSDS) should be consulted for detailed safety information.