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Phosalone

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Identification
Molecular formula
C12H15ClNO4PS
CAS number
2310-17-0
IUPAC name
6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one
State
State

At room temperature, Phosalone is typically a solid, appearing in a crystalline or powder form.

Melting point (Celsius)
47.00
Melting point (Kelvin)
320.15
Boiling point (Celsius)
375.80
Boiling point (Kelvin)
648.95
General information
Molecular weight
367.84g/mol
Molar mass
367.8400g/mol
Density
1.4100g/cm3
Appearence

Phosalone appears as a white to pale yellow crystalline solid. It is odorless or may have a very faint odor. Its appearance in commercial formulations can vary, often appearing as an off-white powder.

Comment on solubility

Solubility of 6-Chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one

The solubility of 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one (C12H15ClNO4PS) is influenced by its unique chemical structure, which includes various functional groups. Here are some key points regarding its solubility:

  • Polarity: The presence of polar functional groups such as the diethoxyphosphinothioyl moiety can enhance solubility in polar solvents, though the overall structure also contains non-polar elements.
  • Solvent Interaction: It tends to be more soluble in organic solvents such as dimethyl sulfoxide (DMSO) or acetone due to its organic nature, while solubility in water may be limited.
  • Temperature Dependency: As with many compounds, solubility may increase with temperature, allowing for better dissolution in solvents.
  • Complex Formation: Given its structure, it might engage in complex formation with other solutes or solvents, impacting its effective solubility.

In summary, while the **solubility of this compound** in water may be limited, its adaptability to various organic solvents offers routes for practical applications. As always, testing under specific conditions will yield the most accurate results.

Interesting facts

Interesting Facts about 6-Chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one

This compound is a fascinating example of a benzoxazole derivative, a class known for their diverse applications in medicinal chemistry. Here are some intriguing facts:

  • Structural Diversity: The presence of the benzoxazole ring system combined with a chlorinated functional group and a phosphinothioyl moiety adds to its structural complexity, making it a target for various synthetic strategies in organic chemistry.
  • Phosphorus Chemistry: The compound contains a phosphorus atom in its structure, which is often associated with enhanced biological activity and potential as a bioactive agent. Phosphorus-containing compounds play crucial roles in biochemistry, particularly in the context of energy transfer and signaling.
  • Potential Applications: With its unique functional groups, this compound may exhibit properties that can be harnessed for use in pesticides, pharmaceuticals, or as an intermediate in the synthesis of other biologically active compounds.
  • Sulfur's Role: The inclusion of sulfur, particularly in thioether linkages, often alters the reactivity and solubility of compounds, potentially leading to new reactivity patterns that can be explored in synthetic chemistry.
  • Research Interest: Compounds like this one are often investigated for their potential role in treating various diseases, especially due to their heterocyclic nature that is conducive to targeting specific biological pathways.

In summary, 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one is not just a compound with an intricate structure; it also opens a window to explore the rich chemistry surrounding phosphorus and sulfur while holding promise for the development of new medicinal and agricultural products.

Synonyms
phosalone
2310-17-0
Phosalon
Fosalon
Benzophosphate
Phozalon
Azofene
Fozalon
Rubitox
Zolone PM
Agria 1060 A
Benzphos
Zolone DT
Chipman 11974
Agria 1060
Rhodia RP 11974
Fosalone
Phasolon
Zoolon
Niagara 9241
6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one
11 974 rp
P 974
ENT 27,163
CHEBI:8121
DTXSID1024259
448B85HT8M
PHOSALONE [ISO]
PHOSALONE [MI]
PHOSALONE [HSDB]
S-((6-Chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,O-diethyl phosphorodithioate
Phosphorodithioic acid, S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,O-diethyl ester
Phosphorodithioic acid, S-[(6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl]O,O-diethyl ester
S-6-Chloro-2,3-dihydro-2-oxo-1,3-benzoxazol-3-ylmethyl O,O-diethyl phosphorodithioate
DTXCID904259
Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone
3-[O,O-(Diethyldithiophosphoryl)methyl]-6-chlorobenzoxazolinone
NIA 9241
S-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl diethyl phosphorothiolothionate
S-[(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] o,o-diethyl dithiophosphate
Phosalone 1000 microg/mL in Acetone
Phosphorodithioic acid, S-[(6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl] O,O-diethyl ester
Phosalone 10 microg/mL in Cyclohexane
Phosalone 10 microg/mL in Acetonitrile
Phosalone 100 microg/mL in Cyclohexane
fozalone
phoazlone
phozalone
RP 11974
Zone
S-((6-Chloro-2-oxo-3H)-benzoxazolylmethyl)O,O-diethyl phosphorodithioate
S-((6-Chloro-2-oxobenzo[d]oxazol-3(2H)-yl)methyl) O,O-diethyl phosphorodithioate
S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl phosphorodithioate
Phosalone 35 EC
Caswell No. 660A
diethyl {[(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]sulfanyl}(sulfanylidene)phosphonite
Phosalone [ANSI:BSI:ISO]
CAS-2310-17-0
CCRIS 2000
HSDB 4050
NIA-9241
NPH-1091
EINECS 218-996-2
EPA Pesticide Chemical Code 097701
BRN 0694650
Bensophos
Benzofos
3-(O,O-(Diethyldithiophosphoryl)methyl)-6-chlorobenzoxazolinone
Zolon
UNII-448B85HT8M
AI3-27163
RP 11,974
P-974
S-((6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl) O,O-diethyl dithiophosphate
S-((6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl) O,O-diethyl phosphorodithioate
diethyl (((6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl)sulfanyl)(sulfanylidene)phosphonite
O,O-diethyl (((6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl)sulfanyl)phosphonothioate
O,O-diethyl {[(6-chloro-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)methyl]sulfanyl}phosphonothioate
PHOSPHORODITHIOIC ACID, S-((6-CHLORO-2-OXO-3(2H)-BENZOXAZOYL)METHYL) O,O-DIETHYL ESTER
PHOSPHORODITHIOIC ACID, S-[(6-CHLORO-2-OXO-3(2H)-BENZOXAZOYL)METHYL] O,O-DIETHYL ESTER
S-6-Chloro-2,3-dihydro-2-oxo-benzoxazol-3-ylmethyl O,O-diethyl phosphorodithioate
3-Diethyldithiophosphorylmethyl-6-chlorobenzoxazolone-2
Phosalone (Standard)
Spectrum_001797
3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone
3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolone
6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone
SpecPlus_000388
O,O-Diethyl S-(6-chlorobenzoxazolinyl-3-methyl) dithiophosphate
O,O-Diethyl-S-(6-chlorobenzoxazonyl-3-methyl) dithiophosphate
Spectrum2_001862
Spectrum3_000814
Spectrum4_000654
Spectrum5_001938
6-Chloro-3-diethoxyphosphinothioylthiomethyl-1,3-benzoxazol-2(3H)-one
CBMicro_004841
3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl O,O-diethyl phosphorothiolothionate
3-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl-O,O-diethyl phosphorothiolothionate
O,O-Diethyl S-((6-chloro-2-oxobenzoxazolin-3-yl)methyl) phosphorodithioate
O,O-Diethyl-S-(6-chloro-2-oxo-benzoxazolin-3-yl)methyl-phosphorothiolothionate
O,O-Diethyl-S-(6-chloro-2-oxobenzoxazolin-3-yl-methyl)-phosphorodithioate
Phosphorodithioic acid-S-ester of 6-chloro-3-mercaptomethylbenzoxazyol-2-one
S-((3-Benzoxazolinyl-6-chloro-2-oxo)methyl) O,O-diethyl phosphorodithioate
O,O-Diaethyl-S-(6-chlor-2-oxo-ben(b)-1,3-oxalin-3-yl)-methyl-dithiophosphat [German]
O,O-Diethyl phosphorodithioate, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone
O,O-Diethyl-S-((6-chloor-2-oxo-benzoxazolin-3-yl)-methyl)-dithiofosfaat [Dutch]
O,O-Dietil-S-((6-cloro-2-oxo-benzossazolin-3-il)-metil)-ditiofosfato [Italian]
S-(6-Chloro-3-(mercaptomethyl)-2-benzoxazolinone) O,O-diethyl phosphorodithioate
Oprea1_627117
SCHEMBL26843
BSPBio_002307
KBioGR_001027
KBioSS_002290
SPECTRUM330022
54182-71-7
BIDD:ER0422
DivK1c_006484
SPBio_001704
CHEMBL1528531
HY-B2029R
IOUNQDKNJZEDEP-UHFFFAOYSA-
KBio1_001428
KBio2_002288
KBio2_004856
KBio2_007424
KBio3_001807
NIA9241
NPH1091
CAA31017
CCG-2037
HY-B2029
SMSF0001368
Tox21_202294
Tox21_300811
ENT 27163
O,O-Dietil-S-((6-cloro-2-oxo-benzossazolin-3-il)-metil)-ditiofosfato
AKOS015896127
O,O-Diaethyl-S-(6-chlor-2-oxo-ben(b)-1,3-oxalin-3-yl)-methyl-dithiophosphat
O,O-Diethyl-S-((6-chloor-2-oxo-benzoxazolin-3-yl)-methyl)-dithiofosfaat
USEPA/OPP Pesticide Code: 97701
CB06818
CS-5216
S-6-chloro-2,3-dihydro-2-oxobenzoxazol-3-ylmethyl O,O-diethyl phosphorodithioate
NCGC00094519-01
NCGC00094519-02
NCGC00094519-03
NCGC00094519-04
NCGC00094519-05
NCGC00094519-06
NCGC00094519-07
NCGC00178712-01
NCGC00254715-01
NCGC00259843-01
11974 RP
AC-20097
DA-76826
BIM-0004803.P001
NS00001562
Phosalone, PESTANAL(R), analytical standard
E84165
3Diethyldithiophosphorylmethyl6chlorobenzoxazolone2
Q413116
3(O,ODiethyldithiophosphorylmethyl)6chlorobenzoxazolone
6Chloro3(O,Odiethyldithiophosphorylmethyl)benzoxazolone
BRD-K71671197-001-02-6
3(O,ODiethyldithiophosphorylmethyl)6chlorobenzoxazolinone
O,ODiethylS(6chlorobenzoxazonyl3methyl) dithiophosphate
O,ODiethylS((6chloor2oxobenzoxazolin3yl)methyl)dithiofosfaat
O,ODietilS((6cloro2oxobenzossazolin3il)metil)ditiofosfato
6-Chloro-3-[O,O-(diethyldithiophosphoryl)methyl]benzoxazolone
6Chloro3diethoxyphosphinothioylthiomethyl1,3benzoxazol2(3H)one
O,ODiaethylS(6chlor2oxoben(b)1,3oxalin3yl)methyldithiophosphat
O,ODiethylS(6chloro2oxobenzoxazolin3ylmethyl)phosphorodithioate
3(6Chloro2oxobenzoxazolin3yl)methylO,Odiethyl phosphorothiolothionate
O,ODiethyl S((6chloro2oxobenzoxazolin3yl)methyl) phosphorodithioate
O,ODiethylS(6chloro2oxobenzoxazolin3yl)methylphosphorothiolothionate
Phosphorodithioic acidSester of 6chloro3mercaptomethylbenzoxazyol2one
S((3Benzoxazolinyl6chloro2oxo)methyl) O,Odiethyl phosphorodithioate
S(6Chloro2oxobenzoxazolin3yl)methyl diethyl phosphorothiolothionate
3(6Chloro2oxobenzoxazolin3yl)methyl O,Odiethyl phosphorothiolothionate
S((6Chloro2oxo3(2H)benzoxazolyl)methyl) O,Odiethyl phosphorodithioate
S(6Chloro3(mercaptomethyl)2benzoxazolinone) O,Odiethyl phosphorodithioate
S6Chloro2,3dihydro2oxo1,3benzoxazol3ylmethyl O,Odiethyl phosphorodithioate
S6Chloro2,3dihydro2oxobenzoxazol3ylmethyl O,Odiethyl phosphorodithioate
O,O-Diethyl phosphorodithioate S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone
O,ODiethyl phosphorodithioate, Sester with 6chloro3(mercaptomethyl)2benzoxazolinone
Phosphorodithioic acid S-((6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl) O,O-diethylester
S-(6-chloro-2,3-dihydro-2-oxobenzoxazol-3-ylmethyl) O,O-diethyl phosphorodithioate
S-(6-chloro-2-oxobenzo[d]oxazol-3(2H)-yl)methyl O,O-diethyl phosphorodithioate
S-[(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl dithiophosphate #
S-[(6-Chloro-2-oxo-3(2H)-benzoxazoly)methyl] O,O-diethyl phosphorodithioate
S-6-chloro-2,3-dihydro-2-oxo benzoxazol-3-ylmethyl O,O-diethylphosphorodithioate
218-996-2
InChI=1/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
Phosphorodithioic acid, O,Odiethyl ester, Sester with 6chloro3(mercaptomethyl)2benzoxazolinone