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Ditalimfos - analytical standard, high purity , CAS No.5131-24-8
Basic Description
Synonyms
SF 101 | O,O-Diethyl phthalimidophosphonothioate | O,O-Diethyl phthalimidothiophosphate | Laptran | DITALIMPHOS | Millie | RE 199 | Plondrel | Ortho 199 | Dowco 199
Specifications & Purity
analytical standard
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Subclass
Isoindolines
Intermediate Tree Nodes
Isoindolones
Direct Parent
Phthalimides
Alternative Parents
Isoindoles Thiophosphoric acid esters Benzenoids Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalimide - Isoindole - Benzenoid - Organic thiophosphoric acid or derivatives - Thiophosphoric acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
External Descriptors
Organophosphorus fungicides
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-diethoxyphosphinothioylisoindole-1,3-dione
INCHI
InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3
InChIKey
MTBZIGHNGSTDJV-UHFFFAOYSA-N
Smiles
CCOP(=S)(N1C(=O)C2=CC=CC=C2C1=O)OCC
Isomeric SMILES
CCOP(=S)(N1C(=O)C2=CC=CC=C2C1=O)OCC
WGK Germany
2
UN Number
2811
Molecular Weight
299.28
Beilstein
1542822
Reaxy-Rn
1542822
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1542822&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
83-84°C
Molecular Weight
299.280 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
299.038 Da
Monoisotopic Mass
299.038 Da
Topological Polar Surface Area
87.900 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
394.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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I2402181