4-Bromo-N,N-dimethylaniline

Basic Information

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CAS Number

586-77-6

Molecular Formula

C8H10BrN

Molecular Weight

200.08 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

52.0 to 56.0 deg-C

Boiling Point

264°C

Water Solubility

Soluble in methanol. Insoluble in water.

Refractive Index

1.5748 (estimate)

SMILES

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

InChI

InChI=1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3

InChIKey

XYZWMVYYUIMRIZ-UHFFFAOYSA-N

LogP

2.5151000000000003

pKa

4.23(at 25℃)

Topological Polar Surface Area

3.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

95.4

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1(b) Class 6.1(b)

Stability

Stable. Incompatible with oxidizing agents, acids, metals.

Synonyms & References

English

F9995-1667
AC-509/25001966
1-Bromo-4-(dimethylamino)benzene
p-N,N-Dimethylaminobromobenzene
CS-W010495
A8294
SCHEMBL59844
N,N-Dimethyl-4-bromoaniline
WLN: ER DN1&1
AC-22962
4-Bromo-N,N-dimethylaniline, 97%
4-bromo-N,N-dimethyl-aniline
586-77-6
D70593
AM20060845
EINECS 209-582-2
CHEMBL3098160
BCP30666
InChI=1/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H
DTXSID2060414
Benzenamine, 4-bromo-N,N-dimethyl-
p-Bromo-N,N-dimethylaniline
NSC8056
SY013736
4-Dimethylaminobromobenzene
4-(Dimethylamino)phenyl bromide
UNII-K49ZS2E9KX
SB77477
EN300-19549
ANILINE, 4-BROMO-N,N-DIMETHYL-
B0585

MDL Number

MFCD00000093

Customs Code

2921499090

FAQ

What is 4-Bromo-N,N-dimethylaniline (CAS: 586-77-6)?

4-Bromo-N,N-dimethylaniline is an organic compound with the chemical formula C8H11BrN. It is a substituted aniline derivative, containing a bromine atom at the para position relative to the amine group. This compound is known for its aromatic structure and is commonly used in chemical research and industrial applications. Its CAS number is 586-77-6.

What are the main uses of 4-Bromo-N,N-dimethylaniline (CAS: 586-77-6)?

4-Bromo-N,N-dimethylaniline is primarily used in the pharmaceutical industry as an intermediate in drug synthesis. It also finds applications in the production of dyes, agrochemicals, and materials for electronic devices. Due to its chemical versatility, it is a valuable compound in research settings for developing new compounds and studying chemical reactivity.

Is 4-Bromo-N,N-dimethylaniline (CAS: 586-77-6) safe?

4-Bromo-N,N-dimethylaniline is considered hazardous and requires careful handling. It may cause skin and eye irritation, and prolonged exposure can lead to more severe health effects. Safety standards recommend using appropriate personal protective equipment (PPE) and following proper ventilation. Always adhere to OSHA and EPA guidelines when working with this compound.

How should 4-Bromo-N,N-dimethylaniline (CAS: 586-77-6) be stored?

4-Bromo-N,N-dimethylaniline should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed container made of materials compatible with its chemical properties, such as glass or HDPE. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and prevent degradation.