2-Chloro-1-(3,4-dihydroxyphenyl)ethanone

Basic Information

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CAS Number

99-40-1

Molecular Formula

C8H7ClO3

Molecular Weight

186.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

174-176 °C

Boiling Point

418.7°C at 760 mmHg

Density

1.444

Flash Point

418.7°C at 760 mmHg

Solubility

Soluble in DMSO, methanol.

Refractive Index

1.611

SMILES

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C1=CC(=C(C=C1C(=O)CCl)O)O

InChI

InChI=1S/C8H7ClO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H2

InChIKey

LWTJEJCZJFZKEL-UHFFFAOYSA-N

LogP

1.5192999999999999

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

172

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

AS-18630
MFCD00002200
.alpha.-Chloro-3,4-dihydroxyacetophenone
EN300-17297
F0001-2334
3',4'-Dihydroxy-2-chloroacetophenone
3,4-Dihydroxyphenacyl chloride
Noradrenaline impurity E, European Pharmacopoeia (EP) Reference Standard
NCGC00184201-02
NSC 13905
ACETOPHENONE, .ALPHA.-CHLORO-3,4-DIHYDROXY-
CHEBI:51844
4-(Chloroacetyl)pyrocatechol
4-(2-chloroacetyl)pyrocatechol
AMY21828
UNII-FN6949L56Q
4-chloroacetylcatechol
O10915
2-Chloro-3',4'-dihydroxyacetophenone
AC-7480
Q27122818
4-(chloroacetyl)-catechol
Acetophenone, 2-chloro-3',4'-dihydroxy-
2-chloro-1-(3,4-dihydroxyphenyl)ethan-1-one
BDBM50119688
Ethanone, 2-chloro-1-(3,4-dihydroxyphenyl)-
W-100038
4-chloroacetyl-catechol
NSC-13905
4-(Chloroacetyl)-1,2-dihydroxybenzene
2-chloro-3'',4''-dihydroxyacetophenone

MDL Number

MFCD00002200

Customs Code

2914700090

FAQ

What is 2-Chloro-1-(3,4-dihydroxyphenyl)ethanone (CAS: 99-40-1)?

2-Chloro-1-(3,4-dihydroxyphenyl)ethanone (CAS: 99-40-1) is a chlorinated aromatic ketone with the chemical formula C8H8O3Cl. It features a ketone group on the ethanone backbone and a 3,4-dihydroxyphenyl substituent, making it a key intermediate in synthetic chemistry. The compound is known for its reactivity and is commonly used in pharmaceutical and research applications due to its versatile chemical structure.

What are the main uses of 2-Chloro-1-(3,4-dihydroxyphenyl)ethanone (CAS: 99-40-1)?

2-Chloro-1-(3,4-dihydroxyphenyl)ethanone (CAS: 99-40-1) is primarily used in pharmaceuticals as a precursor for drug development, particularly in the synthesis of antipsychotic and antidepressant compounds. It also serves industrial applications in chemical manufacturing and research for creating derivatives with specific biological activities. Its utility stems from the functional groups that allow for further modification in synthetic pathways.

Is 2-Chloro-1-(3,4-dihydroxyphenyl)ethanone (CAS: 99-40-1) safe?

2-Chloro-1-(3,4-dihydroxyphenyl)ethanone (CAS: 99-40-1) requires careful handling due to its potential toxicity. Inhalation or skin contact may cause irritation, and it is classified as a hazardous chemical under safety standards. Precautions include using appropriate PPE, ensuring proper ventilation, and following OSHA guidelines. Always prioritize safety when working with this compound in laboratory or industrial settings.

How should 2-Chloro-1-(3,4-dihydroxyphenyl)ethanone (CAS: 99-40-1) be stored?

2-Chloro-1-(3,4-dihydroxyphenyl)ethanone (CAS: 99-40-1) should be stored in a sealed, airtight container in a cool (2-8°C), dry, and dark environment to maintain stability. Avoid exposure to moisture, air, and light to prevent degradation. It is recommended to store it in a well-ventilated area and follow standard chemical storage protocols for safety and longevity.