2-(Chlorocarbonyl)phenyl acetate

Basic Information

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CAS Number

5538-51-2

Molecular Formula

C9H7ClO3

Molecular Weight

198.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

48.0 to 52.0 deg-C

Boiling Point

135°C/12mmHg

Water Solubility

Soluble in toluene. Reacts with water.

Refractive Index

n20/D 1.536(lit.)

SMILES

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CC(=O)OC1=CC=CC=C1C(=O)Cl

InChI

InChI=1S/C9H7ClO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3

InChIKey

DSGKWFGEUBCEIE-UHFFFAOYSA-N

LogP

1.9909000000000001

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

215

Safety Information

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Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

H302 Harmful if swallowed
Acute toxicity, oral

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

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

AMY15535
acetyl salicyloyl chloride
NSC97216
ASCC
2-acetoxy benzoyl chloride
acetylsalicylic acid chloride
2-Acetoxybenzoyl chloride
AKOS000276274
o-Acetylsalicyloyl chloride
2-(carbonochloridoyl)phenyl acetate
2-acetoxybenzoylchloride
2-acetoxybenzoic acid chloride
BS-44104
NSC-97216
D88484
o-Acetylsalicyloylchloride
Aspirin chloride
o-Acetoxybenzoyl chloride
2-(Acetyloxy)benzoyl chloride
acetylsalicylsaurechlorid
MFCD00000663
Benzoyl chloride, 2-(acetyloxy)-
acetyl salicylic acid chloride
67R3L2L9J7
2-(Chlorocarbonyl)phenyl acetate #
UNII-67R3L2L9J7
Acetylsalicyloyl chloride
O-Acetylsalicyloyl chloride, 95%
o-Acetylsalicoyl chloride
(2-carbonochloridoylphenyl) acetate
2-(chlorocarbonyl)-phenyl acetate

MDL Number

MFCD00000663

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 2-(Chlorocarbonyl)phenyl acetate (CAS: 5538-51-2)?

2-(Chlorocarbonyl)phenyl acetate (CAS: 5538-51-2) is a white crystalline solid with a molecular weight of approximately 277.69 g/mol. It is slightly soluble in water but has better solubility in organic solvents like ethanol and acetone. The compound is known for its stability under normal conditions but reacts readily with strong bases to form chlorocarbonyl anion derivatives. It is not particularly reactive under acidic conditions.

How is 2-(Chlorocarbonyl)phenyl acetate (CAS: 5538-51-2) typically synthesized?

2-(Chlorocarbonyl)phenyl acetate is typically synthesized by reacting phenyl acetate with thionyl chloride in the presence of a suitable organic solvent. The reaction is carried out at room temperature, and the product can be isolated by filtration and recrystallization. The yield is around 85-90%, and the method is known for its high chemical selectivity.

What industries use 2-(Chlorocarbonyl)phenyl acetate (CAS: 5538-51-2)?

2-(Chlorocarbonyl)phenyl acetate (CAS: 5538-51-2) finds applications in the pharmaceutical industry for the synthesis of certain intermediates and in the polymer industry as a monomer or additive. It is also used in the production of sensors and semiconductors due to its chemical reactivity and stability.

What precautions should be taken when handling 2-(Chlorocarbonyl)phenyl acetate (CAS: 5538-51-2)?

When handling 2-(Chlorocarbonyl)phenyl acetate (CAS: 5538-51-2), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and moisture. In case of spillage, it should be cleaned up using appropriate absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and disposing of the compound safely.