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CAS Number: 252742-72-6
3-(chloromethyl)-1H-1,2,4-triazol-5(4H)-one

Structure

3-(chloromethyl)-1H-1,2,4-triazol-5(4H)-one
Name: 3-(chloromethyl)-1H-1,2,4-triazol-5(4H)-one
Synonyms:
General Information
Product Number: 252742726

CAS Registry Number 252742-72-6
Name:
3H-​1,​2,​4-​Triazol-​3-​one, 5-​(chloromethyl)​-​1,​2-​dihydro-
3-Chloromethyl-1,2,4-triazolin-5-one
5-(Chloromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-Chloromethyl-2,3-dihydro-4H-1,2,4-triazol-3-one
5-Chloromethyl-2H-1,2,4-triazolin-3-one

 

Chemical Formula: C3H4ClN3O
Exact Mass: 133.00
Molecular Weight: 133.54
m/z: 133.00 (100.0%), 135.00 (32.0%), 134.01 (3.3%), 136.00 (1.4%), 134.00 (1.1%)

 

InChI:InChI=1S/C3H4ClN3O/c4-1-2-5-3(8)7-6-2/h1H2,(H2,5,6,7,8)

InChI Key:ZLRBJVJEQXBAAI-UHFFFAOYSA-N

Canonical SMILES:C(C1=NC(=O)NN1)Cl

Specification

98%

References

(1) Cowden, Cameron J.; Tetrahedron Letters 2000, V41(44), P8661-8664 CAPLUS

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