2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Basic Information

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CAS Number

850567-56-5

Molecular Formula

C12H17BClNO2

Molecular Weight

253.54 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

142-144

Boiling Point

361.5℃/760mmHg

SMILES

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CC1(C)OB(OC1(C)C)c2ccc(Cl)c(N)c2

InChI

InChI=1S/C12H17BClNO2/c1-11(2)12(3,4)17-13(16-11)8-5-6-9(14)10(15)7-8/h5-7H,15H2,1-4H3

InChIKey

KHGJUVPQSMKNFA-UHFFFAOYSA-N

LogP

2.2214

Topological Polar Surface Area

44.480000000000004 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

282

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

2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
3-Amino-4-chlorobenzeneboronic acid pinacol ester
3-Amino-4-chlorophenylboronic acid, pinacol ester
Benzenamine,2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
3-Amino-4-chlorobenzeneboronic acid
SYNQUEST 8H60-5-Y1
KHGJUVPQSMKNFA-UHFFFAOYSA-N
OR1336
6-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
FCH2810162
SY105095
BC001991
AX8084153
ST24040352
2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

MDL Number

MFCD06659926

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 850567-56-5)?

2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 850567-56-5) is a crystalline solid with a molecular weight of approximately 376.21 g/mol. It has a low solubility in water but is more soluble in organic solvents like THF and DMSO. The compound is known for its reactivity in boron-mediated reactions and displays good stability under normal storage conditions.

How is 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 850567-56-5) typically synthesized?

2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is typically synthesized using a boronate esterification process, involving the reaction of 2-chloroaniline with 1,3,2-dioxaborolane in the presence of a base such as sodium bicarbonate. The reaction is performed under mild conditions to achieve high selectivity and yield.

What industries use 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 850567-56-5)?

2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 850567-56-5) is used in the pharmaceutical industry for the synthesis of complex organic molecules, in polymer production for the development of new materials, and in sensor technology for specific chemical detection applications.

What precautions should be taken when handling 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 850567-56-5)?

When handling 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 850567-56-5), wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Ensure the reaction is carried out in a fume hood. Dispose of any waste according to local regulations and consult the Safety Data Sheet (SDS) for detailed guidelines on handling and disposal.