CAS Registry Number®
18854-01-8
CAS Name
Isoxathion
Molecular Formula
C13H16NO4PS
Molecular Mass
313.31
Compound Properties
-
Boiling Point (1)
160 °C @ Press: 0.15 Torr
-
Melting Point (2)
<25 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
- (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKey
InChIKey=SDMSCIWHRZJSRN-UHFFFAOYSA-N
SMILES
O(P(OCC)(OCC)=S)C=1C=C(ON1)C2=CC=CC=C2
Canonical SMILES
S=P(OC1=NOC(=C1)C=2C=CC=CC2)(OCC)OCC
Other Names for this Substance
- Phosphorothioic acid, O,O-diethyl O-(5-phenyl-3-isoxazolyl) ester
- 3-Isoxazolol, 5-phenyl-, O-ester with O,O-diethyl phosphorothioate
- Isoxathion
- Karphos
Deleted or Replaced CAS Registry Numbers
12798-15-1
