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Structure

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

CAS
33575-81-4
Catalog Number
ACM33575814
Category
Other Products
Molecular Weight
263.51
Molecular Formula
C9H5Cl3N2O

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Specification

Synonyms
MolPort-001-770-724, ZINC03883520, CID2763466, 12Y-0828, 33575-81-4
IUPAC Name
2-(chloromethyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
Canonical SMILES
C1=CC(=C(C=C1C2=NN=C(O2)CCl)Cl)Cl
InChI Key
NTJXILNOEFQNJR-UHFFFAOYSA-N
Boiling Point
382.6ºC at 760mmHg
Melting Point
120-122ºC
Flash Point
185.2ºC
Density
1.5g/cm³
Exact Mass
261.94700
H-Bond Acceptor
3
H-Bond Donor
0

Upstream Synthesis Route 1

  • 28036-91-1
  • 79-11-8
  • 33575-81-4

Reference: [1]Current Patent Assignee: THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING - WO2019/20828, 2019, A1
Location in patent: Page/Page column 51; 52; 56

Upstream Synthesis Route 2

  • 28036-91-1
  • 79-04-9
  • 33575-81-4

Reference: [1]Current Patent Assignee: UNIVERSITY OF LONDON - WO2020/43866, 2020, A1
Location in patent: Page/Page column 102

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