adamantane-1-carbonyl chloride

Basic Information

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CAS Number

2094-72-6

Molecular Formula

C11H15ClO

Molecular Weight

198.69 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

51.0 to 54.0 deg-C

Boiling Point

136°C/10mmHg

Flash Point

110 ºC

Refractive Index

1.5364 (estimate)

SMILES

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C1C2CC3CC1CC(C2)(C3)C(=O)Cl

InChI

InChI=1S/C11H15ClO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2

InChIKey

MIBQYWIOHFTKHD-UHFFFAOYSA-N

LogP

2.9682000000000013

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

218

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

SY001116
J-013733
1-Adamantyl carbonyl chloride
(1-adamantanoyl)-chloride
NSC 249324
Tricyclo(3.3.1.1'3,7)decane-1-carbonyl chloride
1-chlorocarbonyladamantane
adamantane carboxylic acid chloride
A4551
GEO-02796
Adamantoyl chloride
1-adamantyl carboxylic acid chloride
Tricyclo[3.3.1.1(3,7)-]decane-1-carbonyl chloride
EINECS 218-252-7
Adamantane-1-carbonyl chloride
adamantan-1-yl-carbonyl chloride
NS00046081
NSC 179368
AKOS004120082
NSC249324
1-Adamantanecarboxylic acid chloride
Tricyclo[3.3.1.13,7]decane-1-carbonyl chloride
AM84726
Adamantanecarbonyl chloride
SCHEMBL24858517
SCHEMBL19526383
adamantylcarbonyl chloride
F2190-0025
DTXSID20175108
AKOS017344645
Adamantane-1-carboxylic acid chloride

MDL Number

MFCD00074724

Customs Code

2915900090

FAQ

What are the physical and chemical properties of adamantane-1-carbonyl chloride (CAS: 2094-72-6)?

Adamantane-1-carbonyl chloride is a white crystalline solid with a molecular weight of approximately 192.54 g/mol. It has low solubility in water but is soluble in organic solvents. Chemically, it is highly reactive, particularly towards nucleophiles, and can undergo nucleophilic substitution reactions.

How is adamantane-1-carbonyl chloride (CAS: 2094-72-6) typically synthesized?

Adamantane-1-carbonyl chloride is typically synthesized by treating adamantane with thionyl chloride in the presence of a catalytic amount of anhydrous aluminum chloride. The reaction is carried out under anhydrous conditions to prevent hydrolysis of the intermediate chloroformate.

What industries use adamantane-1-carbonyl chloride (CAS: 2094-72-6)?

Adamantane-1-carbonyl chloride is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for modifying polymers, and in the semiconductor industry for manufacturing electronic materials and devices. It is also used in the production of sensors and other specialized chemical compounds.

What precautions should be taken when handling adamantane-1-carbonyl chloride (CAS: 2094-72-6)?

When handling adamantane-1-carbonyl chloride, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work must be conducted in a fume hood to minimize exposure. Spills should be contained and cleaned up using appropriate absorbents, and the substance should be disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.