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

Basic Information

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CAS Number

51802-78-9

Molecular Formula

C9H6Cl2N2O

Molecular Weight

229.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

356.8°C at 760 mmHg

Density

1.4

Flash Point

169.6°C

Refractive Index

1.574

SMILES

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C1=CC(=CC(=C1)Cl)C2=NOC(=N2)CCl

InChI

InChI=1S/C9H6Cl2N2O/c10-5-8-12-9(13-14-8)6-2-1-3-7(11)4-6/h1-4H,5H2

InChIKey

TWFGGYWZWDPXGT-UHFFFAOYSA-N

LogP

3.128800000000001

Topological Polar Surface Area

38.92 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

194

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

AB30596
AS-37270
A13423
CS-0038380
DTXSID10407122
SY064286
FT-0687244
SCHEMBL1544535
MFCD07310999
5-(chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
5-Chloromethyl-3-(3-chloro-phenyl)-[1,2,4]oxadiazole
TWFGGYWZWDPXGT-UHFFFAOYSA-N
51802-78-9
BCA80278
AKOS005351094
Z90662859
EN300-13639
1,2,4-Oxadiazole,5-(chloromethyl)-3-(3-chlorophenyl)-
5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
3-(3-chlorophenyl)-5-(chloromethyl)-1,2,4-oxadiazole
5-Chlormethyl-3-<3-chlor-phenyl>-1,2,4-oxadiazol

MDL Number

MFCD07310999

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole (CAS: 51802-78-9)?

5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole has a crystalline form. Its molecular weight is approximately 297.04 g/mol. It is slightly soluble in water but soluble in organic solvents like methanol and ethanol. The compound is known to be reactive towards nucleophiles and can undergo various chemical reactions such as nucleophilic substitution and condensation.

How is 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole (CAS: 51802-78-9) typically synthesized?

5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole is typically synthesized through a multi-step reaction involving the coupling of 3-chlorophenyl isothiocyanate with chloromethyl isocyanate followed by treatment with an appropriate base. The reaction conditions include the use of solvents such as dimethylformamide (DMF) and the employment of a base like triethylamine to promote the reaction.

What industries use 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole (CAS: 51802-78-9)?

5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole finds applications in the pharmaceutical industry for its use as a precursor in drug synthesis. It is also utilized in the sensor technology sector for the development of gas sensors. Additionally, the compound can be used in the semiconductor industry as a precursor for the fabrication of semiconducting materials.

What precautions should be taken when handling 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole (CAS: 51802-78-9)?

When handling 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole, appropriate personal protective equipment (PPE) should be worn, including gloves and safety glasses. The compound should be stored in a fume hood to minimize exposure to air. In case of spills, they should be carefully cleaned up using appropriate safety protocols, and it is advisable to consult the Material Safety Data Sheet (MSDS) for specific guidelines.