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

Basic Information

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CAS Number

863578-21-6

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

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)Cl)N

InChI

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

InChIKey

ZEZOXGCBIPAXOT-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

H302 Harmful if swallowed
Acute toxicity, oral

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

AMY3435
Benzenamine,5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CS-0021734
J-507849
5-CHLORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE
863578-21-6
5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylamine
ZEZOXGCBIPAXOT-UHFFFAOYSA-N
5-chloranyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
SCHEMBL771814
DTXSID10631046
5-CHLORO-2-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE
Fmoc-Nle-OSu
AKOS015919178
2-Amino-4-chlorophenylboronic acid pinacol ester
2-AMINO-4-CHLOROPHENYL BORONIC ACID PINACOL ESTER
A841615
EN300-104527
AS-18800
benzenamine, 5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
2-AMINO-4-CHLOROPHENYLBORONICACIDPINACOLESTER
5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Benzenamine, 5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
QC-4872
PubChem20178
FCH2839632
OR360635
SY110703
AX8224201
X2516
benzenamine, 5-chloro-2-(4,4,5,5-tetramethyl

MDL Number

MFCD11617915

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 863578-21-6)?

5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is a crystalline solid with a molecular weight of approximately 368.03 g/mol. It has a low solubility in water but good solubility in organic solvents. The compound is relatively stable but can undergo substitution reactions. It is typically used in organic synthesis and as a precursor in the development of new materials.

How is 5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 863578-21-6) typically synthesized?

5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is commonly synthesized through a multistep process involving the coupling of aniline with dichloroborane in the presence of a base such as potassium carbonate. The reaction is typically carried out in an inert solvent like dimethylformamide (DMF). The process yields a high percentage of the desired product with good selectivity.

What industries use 5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 863578-21-6)?

5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of various drugs and is also utilized in the production of novel polymers with enhanced properties.

What precautions should be taken when handling 5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS: 863578-21-6)?

When handling 5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline, it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, neutralize with an appropriate base and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.