5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole - CAS 57611-19-5
Catalog: |
BB029760 |
Product Name: |
5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole |
CAS: |
57611-19-5 |
Synonyms: |
5-(chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole; 5-(chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole |
IUPAC Name: | 5-(chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole |
Description: | 5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole (CAS# 57611-19-5) is a useful research chemical. |
Molecular Weight: | 239.62 |
Molecular Formula: | C9H6ClN3O3 |
Canonical SMILES: | C1=CC(=CC=C1C2=NOC(=N2)CCl)[N+](=O)[O-] |
InChI: | InChI=1S/C9H6ClN3O3/c10-5-8-11-9(12-16-8)6-1-3-7(4-2-6)13(14)15/h1-4H,5H2 |
InChI Key: | DKZJFBGPUIIFGW-UHFFFAOYSA-N |
Boiling Point: | 408.125 ℃ at 760 mmHg |
Density: | 1.466 g/cm3 |
MDL: | MFCD00452243 |
LogP: | 2.90680 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-1185607-A | Organophosphate pesticides | 19811207 |
EP-0081151-A1 | Organophosphates, process for preparing them and pesticides containing them | 19811207 |
US-4497804-A | Insecticidal, acaricidal, and nematicidal O-ethyl S-alkyl S-(1,2,4-oxadiazol-5-yl-methyl) phosphorodithiolate derivatives, compositions, and methods of use | 19811207 |
US-3270028-A | Certain 3-aryl-1, 2, 4-oxadiazoles | 19630508 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.0097688 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.0097688 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 84.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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