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Warfarin

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Identification
Molecular formula
C19H15ClO4
CAS number
81-81-2
IUPAC name
3-chloro-7-diethoxyphosphinothioyloxy-4-methyl-chromen-2-one
State
State

Warfarin is typically found as a solid at room temperature. It is commonly available as a sodium salt, which allows it to dissolve in water for pharmaceutical use.

Melting point (Celsius)
161.00
Melting point (Kelvin)
434.15
Boiling point (Celsius)
455.00
Boiling point (Kelvin)
728.15
General information
Molecular weight
308.33g/mol
Molar mass
308.3300g/mol
Density
1.5678g/cm3
Appearence

Warfarin usually appears as a white, crystalline powder. It is tasteless and odorless, and it tends to be stable under normal storage conditions.

Comment on solubility

Solubility of 3-chloro-7-diethoxyphosphinothioyloxy-4-methyl-chromen-2-one

The solubility of 3-chloro-7-diethoxyphosphinothioyloxy-4-methyl-chromen-2-one (C19H15ClO4) is influenced by various factors due to its unique chemical structure.

Factors Affecting Solubility

  • Polarity: The presence of polar groups, such as the chloro and ethoxy groups, can enhance solubility in polar solvents.
  • Hydrophilicity vs. Hydrophobicity: The balance between hydrophilic (water-attracting) and hydrophobic (water-repelling) characteristics affects solubility. In this case, the molecule contains both types of groups.
  • Temperature: Increasing temperature often increases solubility for many compounds, but this behavior is not universal.

In general, it is anticipated that this compound may show limited solubility in water due to its large hydrophobic chromenone structure, while it may be more soluble in organic solvents like ethanol or dichloromethane. For practical applications, testing in various solvents is advisable to determine optimal solubility conditions for this complex molecule.

Conclusion

Understanding the solubility of 3-chloro-7-diethoxyphosphinothioyloxy-4-methyl-chromen-2-one is crucial for its effective use in chemical formulations, and careful consideration of the factors listed above will aid in predicting its behavior in different environments.

Interesting facts

Interesting Facts about 3-Chloro-7-diethoxyphosphinothioyloxy-4-methyl-chromen-2-one

The compound 3-chloro-7-diethoxyphosphinothioyloxy-4-methyl-chromen-2-one is a fascinating instance of how complex chemical structures can be synthesized for various applications. Here are some intriguing aspects of this compound:

  • Phosphorus Chemistry: This compound features a phosphorus atom bonded to sulfur and oxygen, illustrating the diverse bonding capabilities of phosphorus in organophosphorus chemistry.
  • Chromone Framework: At its core, it contains a chromen-2-one structure, which is known for its presence in various natural products and has promising applications in pharmaceuticals and biological systems.
  • Potential Applications: Given its structure, this molecule could exhibit activity in areas such as antioxidants or antimicrobial agents, which have been associated with similar chromone derivatives. Research in this area could yield novel therapeutic compounds.
  • Environmental Chemistry: The presence of chlorine and phosphinothioyloxy groups may suggest potential applications in agricultural chemistry, especially as a novel pesticide or herbicide, further emphasizing the compound's utility in enhancing agricultural practices.
  • Structural Complexity: With multiple substituents, this compound serves as a prime example of the complexity that can arise from simple chemical modifications, showcasing the rich tapestry of organic synthesis.

Quote from the Lab: “Exploring novel compounds like this one opens new doors to understanding and leveraging chemical interactions for beneficial outcomes.”

This compound not only reflects the richness of organic chemistry but also emphasizes the importance of studying intricate molecular designs to unlock their potential in various fields.

Synonyms
COUMAPHOS
56-72-4
Coumafos
Asuntol
Asunthol
Meldane
Azunthol
Muscatox
Agridip
Baymix
Meldone
Resitox
Suntol
CO-Ral
Baymix 50
coumophos
Cumafos
Diolice
Negashunt
Umbethion
3-Chloro-4-methyl-7-hydroxycoumarin diethyl thiophosphoric acid ester
Bayer 21/199
Cumafosum
Negasunt
Bayer 21199
NCI-C08662
Coumaphos [ISO]
Coumafosum
Resistox
3-Chloro-4-methyl-7-coumarinyl diethyl phosphorothioate
BAY 21/199
ENT 17,957
Caswell No. 335
O,O-Diethyl 3-chloro-4-methyl-7-umbelliferone thiophosphate
O,O-Diethyl O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)phosphorothioate
OMS 485
3-Chloro-7-hydroxy-4-methyl-coumarin O,O-diethyl phosphorothioate
Phosphorothioic acid, O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl ester
CCRIS 180
3-Chloro-7-diethoxyphosphinothioyloxy-4-methylcoumarin
HSDB 249
Perizin
Coumaphoscumafos
Cumafos [INN-Spanish]
Coumafosum [INN-Latin]
Coumarin, 3-chloro-7-hydroxy-4-methyl-, O-ester with O,O-diethyl phosphorothioate
O-3-Chloro-4-methyl-7-coumarinyl O,O-diethyl phosphorothioate
UNII-L08SZ5Z5JC
Diethyl 3-chloro-4-methylumbelliferyl thionophosphate
NSC 8944
NSC-8944
EINECS 200-285-3
L08SZ5Z5JC
Coumafos [INN]
O-(3-Chloro-4-methyl-2-oxo-2H-chromen-7-yl) O,O-diethyl thiophosphate
EPA Pesticide Chemical Code 036501
BRN 0327083
O,O-Diethyl O-(3-chloro-4-methylcoumarinyl-7) thiophosphate
o-(3-Chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) o,o-diethyl phosphorothioate
CHEBI:3903
O,O-Diethyl O-(3-chloro-4-methylumbelliferyl)phosphorothioate
DTXSID2020347
O,O-Diethyl O-(3-chloro-4-methyl-7-coumarinyl)phosphorothioate
BAYER-21199
AI3-17957
3-Chloro-4-methylumbelliferone O-ester with O,O-diethyl phosphorothioate
Diethyl thiophosphoric acid ester of 3-chloro-4-methyl-7-hydroxycoumarin
3-Chloro-7-hydroxy-4-methyl-coumarin O-ester with O,O-diethyl phosphorothioate
O,O-Diaethyl-O-(3-chlor-4-methyl-cumarin-7-yl)-monothiophosphat
Thiophosphate de O,O-diethyle et de O-(3-chloro-4-methyl-7-coumarinyle)
DTXCID20347
O,O-Diethyl O-(3-chloro-4-methyl-2-oxo-2H-benzopyran-7-yl)phosphorothioate
Phosphorothioic acid, O,O-diethyl ester, O-ester with 3-chloro-7-hydroxy-4-methylcoumarin
3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one
Diethyl-O-(3-chloro-4-methyl-7-coumarinyl) phosphorothioate
O,O-Diethyl O-(3-chloro-4-methylumbelliferone) thiophosphate
O,O-Dietil-O-(3-cloro-4-metil-cumarin-7-il-monotiofosfato)
NSC8944
O,O-Diethyl-O-(3-chloor-4-methyl-cumarin-7-yl)monothiofosfaat
O-(3-Chloro-4-methyl-7-coumarinyl) O,O-diethylphosphorothioate
4-18-00-00344 (Beilstein Handbook Reference)
Coumafos (INN)
O,O-Diethyl O-(3-chloro-4-methyl-2-oxo-2h-benzopyran-7-yl) phosphorothioate
NCGC00094516-01
Cumafos (INN-Spanish)
Coumafosum (INN-Latin)
COUMAFOS (MART.)
COUMAFOS [MART.]
O-3-chloro-4-methyl-2-oxo-2H-chromen-7-yl O,O-diethyl phosphorothioate
O-(3-chloro-4-methyl-2-oxo-2H-chromen-7-yl) O,O-diethyl phosphorothioate
Cumafos [Dutch]
O,O-Dietil-O-(3-chloro-4-metil-cumarin-7-il-monotiofosfato)
O,O-Diethyl-O-(3-chloro-4-methyl-cumarin-7-yl)monothiofosfaat
CAS-56-72-4
Muscotox
Koral
Coumaphos D10 di(ethyl-D5) 100 microg/mL in Acetonitrile
Meldane 2
Meldane (TN)
Co-ral (phosphate)
Caswell number 335.
Spectrum_001767
SpecPlus_000350
COUMAPHOS [MI]
COUMAPHOS [HSDB]
O,O-diethyl O-(3-chloro-4-methyl-7-coumarinyl) phosphorothioate
Spectrum2_001845
Spectrum3_000805
Spectrum4_000645
Spectrum5_001924
O,O-Diethyl-O-(3-chloor-4-methyl-cumarin-7-yl)monothiofosfaat [Dutch]
O,O-Dietil-O-(3-cloro-4-metil-cumarin-7-il-monotiofosfato) [Italian]
O,O-Diaethyl-O-(3-chlor-4-methyl-cumarin-7-yl)-monothiophosphat [German]
Pesticide Code 036501
Phosphorothioic Acid O-(3-Chloro-4-Methyl-2-Oxo-2H-1-Benzopyran-7-yl) O,O-Diethyl Ester
Thiophosphate de O,O-diethyle et de O-(3-chloro-4-methyl-7-coumarinyle) [French]
BSPBio_002269
KBioGR_000989
KBioSS_002248
SPECTRUM330012
MLS002695922
DivK1c_006446
SCHEMBL120173
SPBio_001630
COUMAPHOS [GREEN BOOK]
CHEMBL251680
EPA pesticide code 026501.
KBio1_001390
KBio2_002247
KBio2_004815
KBio2_007383
KBio3_001769
3-chloro-7-diethoxyphosphinothioyloxy-4-methyl-chromen-2-one
HMS3089A24
HMS3264G07
Pharmakon1600-00330012
Umbelliferone, 3-chloro-4-methyl-, O,O-diethyl phosphorothioate
Tox21_111290
Tox21_201841
Tox21_300769
BDBM50366033
CCG-39383
NSC759838
3-chloro-7-hydroxy-4-methylcoumarin O-ester with O,O-diethyl phosphorothioate
AKOS015903492
Coumaphos 1000 microg/mL in Acetone
Tox21_111290_1
DB11390
NSC-759838
Coumaphos 10 microg/mL in Acetonitrile
BENZOPYRAN-7-YL) PHOSPHOROTHIOATE
Coumaphos 100 microg/mL in Acetonitrile
NCGC00094516-02
NCGC00094516-03
NCGC00094516-04
NCGC00094516-05
NCGC00094516-06
NCGC00094516-08
NCGC00178730-01
NCGC00254673-01
NCGC00259390-01
AC-12672
AS-16079
SMR000777904
DB-052962
WLN: T66 BOVJ DG E1 IOPS&O2&O2
NS00009821
Coumaphos, PESTANAL(R), analytical standard
D07750
AB00053007_02
MELDANE, MELDONE, MUSCATOX, NCI-C08662
O-(3-CHLORO-4-METHYL-2-OXO-(2H)-1-
Q415896
SR-01000892650
Coumarin, O-ester with O,O-diethyl phosphorothioate
SR-01000892650-2
BRD-K41567533-001-02-6
BRD-K41567533-001-08-3
3-Chloro-4-methylumbelliferone o-ester with O,O-diethyl
Diethyl-O(3-chloro-4-methyl-7-coumarinyl) phosphorothioate
O-3-chloro-4-methylcoumarin-7-yl O,O-diethyl phosphorothioate
O-(3-Chloro-4-methylcoumarin-7-yl) O,O-diethyl phosphorothioate
O,O-DIETHYL O-(3-CHLORO-4-METHYLUMBELLIFERYL) PHOSPHOROTHIOATE
O-(3-Chloro-4-methyl-2-oxo-2H-chromen-7-yl) O,O-diethyl thiophosphate #
O-3-chloro-4-methyl-2-oxo-2H-chromen-7-yl-O,O-diethylphosphorothioate
0,0-Diethyl 0-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) phosphorothioate
3-CHLORO-7-HYDROXY-4-METHYL-COUMARIN, O-ESTER WITH O,O-DIETHYLPHOSPHOROTHIOATE
O,O-Diethyl O-(3-chloro-4-methyl-2-oxo-2H-benzopyran-7- yl)phosphorothioate
Phosphorothioic acid,O-diethyl ester, O-ester with 3-chloro-7-hydroxy-4-methylcoumarin
200-285-3
WZ0