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

Basic Information

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CAS Number

69399-79-7

Molecular Formula

C11H6Cl2FNO2

Molecular Weight

274.08 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

48-52 ºC

SMILES

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

InChI

InChI=1S/C11H6Cl2FNO2/c1-5-8(11(13)16)10(15-17-5)9-6(12)3-2-4-7(9)14/h2-4H,1H3

InChIKey

XJCUKCOLGJDGGN-UHFFFAOYSA-N

LogP

3.8215200000000005

Topological Polar Surface Area

43.1 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

305

Safety Information

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GHS Hazard Pictograms

H314

H318

Hazard Statement

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

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

W-104628
3-(6-chloro-2-fluorophenyl)-5-methylisoxazole4-carbonyl chloride
3-(2-chloro-6-fluorophenyl)-5-methylisoxaz-4-oyl chloride
3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
3-(2-chloro-6-fluoro-phenyl)-5-methylisoxazole-4-carbonyl chloride
69399-79-7
3-(2-Chloro-6-fluorophenyl)-5-methylisoxazol-4-oyl chloride
93Q1R37JBY
3-(2-Chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbonyl chloride
NCGC00253745-01
4-Isoxazolecarbonyl chloride, 3-(2-chloro-6-fluorophenyl)-5-methyl-
3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
BCP19466
3-(6-chloro-2-fluorophenyl)-5-methylisoxazole-4-carbonyl chloride
AC-10858
SR-01000944787
FT-0613537
AKOS000121250
Fcmic chloride
BP-10349
MFCD00055650
AS-40172
SCHEMBL1065677
3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbonyl chloride
EINECS 273-987-0
Fcimic chloride
NS00062402
SR-01000944787-1
UNII-93Q1R37JBY
DTXSID40219518
3-(2-chloro-6-fluorophenyl)-5-methylisoxazole4-carbonyl chloride

MDL Number

MFCD00055650

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride (CAS: 69399-79-7)?

3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride is a crystalline solid with a molecular weight of approximately 319.65 g/mol. It is poorly soluble in water but soluble in organic solvents like dichloromethane and ethanol. This compound is chemically reactive, particularly towards nucleophiles and can undergo substitution reactions. It is stable under normal laboratory conditions but should be handled with care due to its reactivity.

How is 3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride (CAS: 69399-79-7) typically synthesized?

3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride can be synthesized via the reaction of 2-chloro-6-fluorophenyl isothiocyanate with 5-methyl-1,2-oxazole-4-carbonyl chloride. This process often involves the use of a base like triethylamine to facilitate the reaction. The yield and selectivity can be improved by optimizing reaction conditions such as temperature and solvent choice.

What industries use 3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride (CAS: 69399-79-7)?

3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride is used in the pharmaceutical industry for developing new drugs, particularly in the modification of drug molecules. It is also utilized in the synthesis of certain polymers and in the manufacture of sensors and semiconductors due to its chemical properties.

What precautions should be taken when handling 3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride (CAS: 69399-79-7)?

When handling 3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride, it is crucial to wear protective equipment such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and guidance.