3-Bromo-5-methylaniline

Basic Information

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CAS Number

74586-53-1

Molecular Formula

C7H8BrN

Molecular Weight

186.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

37°C

Boiling Point

260°C

Water Solubility

Slightly soluble in water.

SMILES

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CC1=CC(=CC(=C1)Br)N

InChI

InChI=1S/C7H8BrN/c1-5-2-6(8)4-7(9)3-5/h2-4H,9H2,1H3

InChIKey

YIZRPAWCIFTHNA-UHFFFAOYSA-N

LogP

2.33972

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

94.9

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

BDBM626003
5-Brom-3-toluidin
A23112
EN300-124292
CL8415
Benzenamine, 3-bromo-5-methyl-
3-Bromo-5-(methyl)aniline
NS00059651
J-512033
AM61637
3-Bromo-5-methylbenzenamine
YIZRPAWCIFTHNA-UHFFFAOYSA-N
74586-53-1
AKOS005259715
CS-W016924
3-Bromo-5-methyl-phenylamine
EINECS 277-932-1
SY023178
DTXSID40996094
MFCD11845553
FT-0686996
SCHEMBL429677
(3-Bromo-5-methylphenyl)amine
3-Amino-5-bromotoluene
PS-5101
B6015
3-Bromo-5-methylaniline
3-bromo-5-methylbenzenamine
Benzenamine,3-bromo-5-methyl-
3-Methyl-5-bromoaniline
KSC494E0L

MDL Number

MFCD11845553

Customs Code

2921430090

FAQ

What are the physical and chemical properties of 3-Bromo-5-methylaniline (CAS: 74586-53-1)?

3-Bromo-5-methylaniline is a white crystalline solid with a molecular weight of 171.02 g/mol. It has a slightly soluble nature in water and is more soluble in organic solvents like ethanol and acetone. This compound is reactive towards nucleophiles and electrophiles. It is stable under normal conditions but requires storage in a cool, dry place away from strong oxidizing agents.

How is 3-Bromo-5-methylaniline (CAS: 74586-53-1) typically synthesized?

3-Bromo-5-methylaniline is commonly synthesized via the reaction of 5-methylaniline with bromine in the presence of a Lewis acid catalyst, such as aluminum bromide. The reaction is carried out under reflux conditions, and the yield can reach up to 90% with proper purification steps.

What industries use 3-Bromo-5-methylaniline (CAS: 74586-53-1)?

3-Bromo-5-methylaniline finds applications in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients (APIs) and as a precursor for dyes. It is also used in the polymer industry for the production of speciality polymers and in the sensor industry for the development of gas sensors.

What precautions should be taken when handling 3-Bromo-5-methylaniline (CAS: 74586-53-1)?

When handling 3-Bromo-5-methylaniline, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a fume hood due to its potential volatility. Spills should be cleaned up carefully using absorbent materials, and the area should be well-ventilated. For safety and handling procedures, a Safety Data Sheet (SDS) should always be consulted.