2-Bromo-N,N-dimethylaniline

Basic Information

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CAS Number

698-00-0

Molecular Formula

C8H10BrN

Molecular Weight

200.08 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

108°C/14mmHg

Density

1.388

Flash Point

108°C/14mm

Refractive Index

1.5745

SMILES

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CN(C)C1=CC=CC=C1Br

InChI

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

InChIKey

ONMSBNJJCUCYED-UHFFFAOYSA-N

LogP

2.5151000000000003

Topological Polar Surface Area

3.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

103

Safety Information

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GHS Hazard Pictograms

H315

H317

H319

H334

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

CS-0015849
2-bromo-N,N-dimethylbenzenamine
o-Bromo-N,N-dimethylaniline
DTXSID80220087
AKOS005206891
Benzenamine, bromo-N,N-dimethyl-
2-bromo-N,N-dimethyl-aniline
SB78228
2-(N,N-Dimethylamino)bromobenzene
FT-0611583
N,N-DIMETHYL-2-BROMOANILINE
2-Bromo-N,N-dimethylaniline
2-(Dimethylamino)bromobenzene
AMY11712
BCP05527
1-Bromo-2-dimethylaminobenzene
2-Bromo-N,N-dimethylaniline, 97%
J-508527
NSC 33816
B3243
2-Dimethylamino-1-bromobenzene
2-(Dimethylamino)phenyl bromide
MFCD00013522
NSC33816
BS-17453
A9229
bromo-N,N-dimethylaniline
(2-bromo-phenyl)-dimethyl-amine
NS00036955
EN300-118419
698-00-0

MDL Number

MFCD00013522

Customs Code

2921420090

FAQ

What are the physical and chemical properties of 2-Bromo-N,N-dimethylaniline (CAS: 698-00-0)?

2-Bromo-N,N-dimethylaniline (CAS: 698-00-0) is a crystalline solid with a molecular weight of approximately 199.03 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. The compound is moderately reactive, particularly towards nucleophiles and bases. It is commonly used in organic synthesis and as a precursor in the pharmaceutical and polymer industries.

How is 2-Bromo-N,N-dimethylaniline (CAS: 698-00-0) typically synthesized?

2-Bromo-N,N-dimethylaniline is typically synthesized by the reaction of aniline with bromine in the presence of a solvent such as acetic acid. The reaction is catalyzed by a Lewis acid like aluminum bromide. The product can be isolated by recrystallization, and the yield is generally around 70-80%. Selectivity and yield can be improved by optimizing reaction conditions such as temperature and reagent concentration.

What industries use 2-Bromo-N,N-dimethylaniline (CAS: 698-00-0)?

2-Bromo-N,N-dimethylaniline (CAS: 698-00-0) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor for the synthesis of various drug intermediates and is also utilized in the production of organic semiconductors and sensors due to its unique chemical properties.

What precautions should be taken when handling 2-Bromo-N,N-dimethylaniline (CAS: 698-00-0)?

When handling 2-Bromo-N,N-dimethylaniline (CAS: 698-00-0), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using absorbent materials and proper disposal methods. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.