Trichloronate
CAS Registry Number®
327-98-0
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CAS Name
TrichloronateMolecular Formula
C10H12Cl3O2PSMolecular Mass
333.60Cite this Page
Trichloronate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=327-98-0 (retrieved ) (CAS RN: 327-98-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
108 °C @ Press: 0.01 TorrDensity (1)
1.365 g/cm³ @ Temp: 20 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3
InChIKey
InChIKey=ANIAQSUBRGXWLS-UHFFFAOYSA-N
SMILES
O(P(OCC)(CC)=S)C1=C(Cl)C=C(Cl)C(Cl)=C1
Canonical SMILES
S=P(OC1=CC(Cl)=C(Cl)C=C1Cl)(OCC)CC
Other Names for this Substance
- Phosphonothioic acid, ethyl-, O-ethyl O-(2,4,5-trichlorophenyl) ester
- S 4400
- 5082A
- BAY 37289
- Bayer S 4400
