5-Chloro-2-adamantanone

Basic Information

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CAS Number

20098-17-3

Molecular Formula

C10H13ClO

Molecular Weight

184.67 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

196.0 to 202.0 deg-C

Boiling Point

289.1°C at 760 mmHg

Density

1.24

Flash Point

140.7°C

Refractive Index

1.546

SMILES

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C1C2CC3CC(C2)(CC1C3=O)Cl

InChI

InChI=1S/C10H13ClO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2

InChIKey

JPEOUSFBWXVGFX-UHFFFAOYSA-N

LogP

2.373

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

230

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS016844283
FT-0637946
SCHEMBL232917
NSC-339495
EN300-2008472
BCP22011
C2140
AS-12161
5-chloroadamantan-2-one
5-Chloro-2-adamantanone
A814239
Adamantan-4-one, 1-chloro
5-chloroadamantane-2-one
NSC339495
CS-0128441
5-chloro-2 adamantanone
AKOS001484831
Tricyclo[3.3.1.13,7]decan-2-one, 5-chloro-
20098-17-3
AM84691
DTXSID80319081
5-Chloroadamantan-2-one
1-chloroadamantan-4-one
5-chloro-adamantan-2-one
8-chloroadamantan-2-one
Adamantan-4-one,1-chloro
5-chloro-2-adamantone
JPEOUSFBWXVGFX-UHFFFAOYSA-N
AK129930
5-chloranyladamantan-2-one
VZ30194

MDL Number

MFCD00798599

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 5-Chloro-2-adamantanone (CAS: 20098-17-3)?

5-Chloro-2-adamantanone (CAS: 20098-17-3) is a white crystalline compound with a molecular weight of approximately 211.63 g/mol. It has a high solubility in polar solvents like ethanol and acetone. This compound is relatively stable under normal conditions but may react with strong reducing agents. It is not flammable and has a melting point of about 148-149°C.

How is 5-Chloro-2-adamantanone (CAS: 20098-17-3) typically synthesized?

5-Chloro-2-adamantanone (CAS: 20098-17-3) is synthesized by reacting chloroacetic acid with 2-adamantanone. Common catalysts include strong acids like sulfuric acid. The reaction is carried out in a solvent such as acetic acid, and the yield is typically high, around 90%. The selectivity is good, with minimal side products.

What industries use 5-Chloro-2-adamantanone (CAS: 20098-17-3)?

5-Chloro-2-adamantanone (CAS: 20098-17-3) is used in the pharmaceutical industry for the synthesis of certain intermediates. It is also utilized in the polymer industry for the production of advanced polymers with specific properties. Additionally, it has applications in the sensor industry for the development of chemical sensors due to its unique physicochemical properties.

What precautions should be taken when handling 5-Chloro-2-adamantanone (CAS: 20098-17-3)?

When handling 5-Chloro-2-adamantanone (CAS: 20098-17-3), ensure proper personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. Work in a fume hood to minimize inhalation risks. Spills should be handled using appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.