2-(Chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole

Basic Information

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CAS Number

723286-98-4

Molecular Formula

C4H2ClF3N2O

Molecular Weight

186.52 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

144.323 ℃ at 760 mmHg

Density

1.6

Flash Point

41.1℃

Refractive Index

1.4

SMILES

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C(C1=NN=C(O1)C(F)(F)F)Cl

InChI

InChI=1S/C4H2ClF3N2O/c5-1-2-9-10-3(11-2)4(6,7)8/h1H2

InChIKey

GPXSXZGMVOSWMN-UHFFFAOYSA-N

LogP

1.8272

Topological Polar Surface Area

38.92 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

142

Safety Information

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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

5-trifluoromethyl-2-chloromethyl-1,3,4-oxadiazole
J-516314
PB32733
V6DUF779AK
2-Chloromethyl-5-trifluoromethyl-1,3,4-oxadiazole
2-(chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SY002324
FT-0651553
MFCD09699166
FA-0235
723286-98-4
2-(chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole;5-(Chloromethyl)-2-(trifluoromethyl)-1,3,4-oxadiazole
F8889-6029
5-(TRIFLUOROMETHYL)-2-(CHLOROMETHYL)-1,3,4-OXADIAZOLE
AKOS003678499
BCP21754
5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole (>90%)
A15773
CS-M0690
SCHEMBL725711
EN300-101381
2-chloromethyl-5-trifluoromethyl-1,3,4-oxadia-zole
1,3,4-oxadiazole, 2-(chloromethyl)-5-(trifluoromethyl)-
2-CHLOROMETHYL-5-TRIFLUOROMETHYL-[1,3,4]OXADIAZOLE
5-(Chloromethyl)-2-(trifluoromethyl)-1,3,4-oxadiazole
AMY8801
DTXSID80439930
2-(Chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole
2-Chloromethyl-5-trifluoromethyl--1-3-4-oxadiazole
5-(CHLOROMETHYL)-2-(TRIFLUOROMETHYL)-1,3,4-OXADIAZOLE

MDL Number

MFCD09699166

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-(Chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole (CAS: 723286-98-4)?

2-(Chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole is a white crystalline solid with a molecular weight of approximately 205.03 g/mol. It is poorly soluble in water but soluble in organic solvents like methanol and ethanol. Chemically, it is highly reactive, particularly due to its oxadiazole ring, which can participate in various electrophilic and nucleophilic reactions. It is an important intermediate in the synthesis of pharmaceuticals and other functional materials.

How is 2-(Chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole (CAS: 723286-98-4) typically synthesized?

2-(Chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole is typically synthesized via the reaction of 5-chloromethyl-1,3,4-oxadiazole with trifluoroacetyl chloride. The reaction is performed in the presence of a base such as triethylamine. The yield is generally good, and the selectivity is high, making this a reliable method for preparing this compound.

What industries use 2-(Chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole (CAS: 723286-98-4)?

2-(Chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole is primarily used in the pharmaceutical and polymer industries. It serves as a key precursor in the synthesis of various drug molecules and can also be used as a building block in the preparation of functional polymers. Additionally, its unique chemical properties make it valuable in the development of sensors and semiconductor materials.

What precautions should be taken when handling 2-(Chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole (CAS: 723286-98-4)?

When handling 2-(Chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials, and proper disposal methods should be followed. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.