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Home > Encyclopedia > 3-(CHLOROMETHYL)-5-METHYL-1,2,4-OXADIAZOLE

3-(CHLOROMETHYL)-5-METHYL-1,2,4-OXADIAZOLE

3-(CHLOROMETHYL)-5-METHYL-1,2,4-OXADIAZOLE structure

3-(CHLOROMETHYL)-5-METHYL-1,2,4-OXADIAZOLE 

structure
  • CAS No:

    1192-80-9

  • Formula:

    C4H5ClN2O

  • Chemical Name:

    3-(CHLOROMETHYL)-5-METHYL-1,2,4-OXADIAZOLE

  • Synonyms:

    3-(chloromethyl)-5-methyl-1,2,4-oxadiazole;3-Chloromethyl-5-methyl-[1,2,4]oxadiazole;1,2,4-OXADIAZOLE, 3-(CHLOROMETHYL)-5-METHYL-;1,2,4-Oxadiazole,3-(chloromethyl)-5-methyl-;3-chloromethyl-5-methyl-1,2,4-oxadiazole;NSC184824;PubChem17691;SCHEMBL1170174;CTK4B1204;DTXSID10306989

3-(CHLOROMETHYL)-5-METHYL-1,2,4-OXADIAZOLE Basic Attributes

132.55

132.00900

184824

DTXSID10306989

2934999090

Characteristics

38.9

1

1.291±0.06 g/cm3(Predicted)

76-77 °C(Press: 15 Torr)

81.8ºC

1.483

Safety Information

IRRITANT

|Danger|H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-(CHLOROMETHYL)-5-METHYL-1,2,4-OXADIAZOLE Use and Manufacturing

[2-CHLORO-N-HYDROXY-ACETAMIDINE] (217 mg, 2 mmol) was mixed with acetic anhydride (224.4 mg, 2.2 mmol) in dichloromethane (2 mL) at room temperature for 1 hour. Then DMF (1 mL) was added in and the reaction mixture was heated at [130 °C] for 2 h. The reaction was quenched with saturated sodium carbonate and extracted with ethyl acetate. The organic layer was dried and concentrated to give 59 mg (22.2percent) of the title compounds as a crude yellow oil, which could be used for the next step reaction without further purification. lH NMR [(CDC13), ] 5 (ppm): 4. 51 (s, [2H), ] 2.55 (s, 3H).

Computed Properties

Molecular Weight:132.55
XLogP3:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:132.0090405
Monoisotopic Mass:132.0090405
Topological Polar Surface Area:38.9
Heavy Atom Count:8
Complexity:80.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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