3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride

Basic Information

View in Editor

CAS Number

4462-55-9

Molecular Formula

C11H6Cl3NO2

Molecular Weight

290.53 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

93.0 to 97.0 deg-C

Boiling Point

390.9°C at 760 mmHg

Density

1.472

Flash Point

390.9°Cat760mmHg

Refractive Index

1.584

SMILES

View in Editor

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)Cl

InChI

InChI=1S/C11H6Cl3NO2/c1-5-8(11(14)16)10(15-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3

InChIKey

IZQGELJKDARDMZ-UHFFFAOYSA-N

LogP

4.335820000000002

Topological Polar Surface Area

43.1 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

292

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Dcimc chloride
SCHEMBL3451560
UNII-PB71YVH5F2
3-(2,6-Dichlorophenyl)-5-methyl-4-chlorocarbonylisoxazole
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarbonyl chloride
3-(2,6-Dichlorophenyl)-5-methyl isoxazole-4-carbonyl chloride
AKOS015895601
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
NCGC00253649-01
FT-0613519
BP-10805
Tox21_113775
D4776
F0001-1218
SR-01000944785-1
3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
PB71YVH5F2
CHEMBL3183862
3-(2,6-Dichlorophenyl)-5-methyl-3-phenyl-4-chlorocarbonyl isoxazole
CAS-4462-55-9
4462-55-9
W-106185
MFCD00052556
EINECS 224-723-8
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonylchloride
SR-01000944785
STR00636
DTXSID1057747
DTXCID2031536
EX-A1931
NS00031445

MDL Number

MFCD00052556

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride (CAS: 4462-55-9)?

The compound is a white or off-white crystalline solid with a molecular weight of approximately 311.04 g/mol. It has a low solubility in water but good solubility in organic solvents such as ethanol and acetone. Chemically, it is highly reactive, particularly towards nucleophiles and bases. It can form stable adducts and derivatives under mild conditions.

How is 3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride (CAS: 4462-55-9) typically synthesized?

The compound is usually synthesized by chlorination of 5-methyl-1,2-oxazole-4-carbonyl chloride followed by coupling with 2,6-dichlorophenyl chloride. The reaction is typically conducted under anhydrous conditions using a Lewis acid catalyst to promote electrophilic aromatic substitution reactions.

What industries use 3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride (CAS: 4462-55-9)?

This compound is primarily used in the pharmaceutical industry for the synthesis of various drug intermediates. It is also utilized in the manufacture of organic semiconductors and polymers due to its electronic properties. Additionally, it can be employed in the development of chemical sensors and as a reagent in analytical chemistry.

What precautions should be taken when handling 3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride (CAS: 4462-55-9)?

Handling this compound requires strict laboratory safety protocols. It should always be conducted in a well-ventilated area, preferably under a fume hood. Use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Spills should be cleaned up immediately using the appropriate absorbent material and disposed of according to local regulations. Always consult the Material Safety Data Sheet (MSDS/SDS) for detailed safety information.