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Bisphosphonate

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Identification
Molecular formula
C14H14Cl3NO6P
CAS number
23660-68-8
IUPAC name
bis(2-chloroethyl) (3-chloro-4-methyl-2-oxo-chromen-7-yl) phosphate
State
State

At room temperature, bis(2-chloroethyl) (3-chloro-4-methyl-2-oxo-chromen-7-yl) phosphate is typically in a solid state. It is commonly found in a crystalline form, which can appear white to off-white. The physical state may vary slightly if the substance is part of a formulation or compound mix.

Melting point (Celsius)
89.00
Melting point (Kelvin)
362.15
Boiling point (Celsius)
355.00
Boiling point (Kelvin)
628.15
General information
Molecular weight
397.70g/mol
Molar mass
397.6980g/mol
Density
1.6700g/cm3
Appearence

Bis(2-chloroethyl) (3-chloro-4-methyl-2-oxo-chromen-7-yl) phosphate typically appears as a white to off-white crystalline solid. Its appearance may vary slightly depending on the purity and specific formulation.

Comment on solubility

Solubility of bis(2-chloroethyl) (3-chloro-4-methyl-2-oxo-chromen-7-yl) phosphate

The solubility of bis(2-chloroethyl) (3-chloro-4-methyl-2-oxo-chromen-7-yl) phosphate in various solvents is an important aspect to consider, especially in its applications in pharmaceuticals and agricultural chemistry. Here are key points regarding its solubility:

  • Solvent Dependency: The solubility can greatly vary depending on the solvent. It is generally found that such compounds exhibit better solubility in organic solvents such as dimethyl sulfoxide (DMSO) and acetone.
  • Water Solubility: Typically, this compound has limited solubility in water due to its bulky structure and the presence of chlorinated groups, which can hinder interaction with water molecules.
  • Temperature Effects: Increasing temperature may enhance the solubility of the compound in organic solvents, making it easier to dissolve for various applications.
  • pH Influence: The solubility can also be influenced by the pH of the solution, particularly if any ionizable groups are present within the molecule, affecting the overall solvation process.

In general, it is valuable to conduct specific solubility tests to determine the exact behavior of bis(2-chloroethyl) (3-chloro-4-methyl-2-oxo-chromen-7-yl) phosphate in a given solvent system. As a note, understanding the solubility characteristics of this compound plays a crucial role in optimizing its functionality in chemical reactions and formulations.

Interesting facts

Interesting Facts about bis(2-chloroethyl) (3-chloro-4-methyl-2-oxo-chromen-7-yl) phosphate

bis(2-chloroethyl) (3-chloro-4-methyl-2-oxo-chromen-7-yl) phosphate is a fascinating compound with a range of applications that stem from its unique structure and properties. Here are some intriguing points to consider:

  • Chemical Structure: The compound features a chromen-2-one backbone that contributes to its biological activity. This structure is a key player in many pharmacological processes.
  • Biological Activity: As a phosphate ester, it may exhibit activities related to enzyme inhibition or modulation, making it a candidate for further studies in pharmacology and biochemistry.
  • Usage in Research: Compounds like this are often used in medicinal chemistry for the design of new drugs, particularly in anti-cancer research, due to their ability to interact with cellular mechanisms.
  • Synthetic Pathways: The synthesis of this compound typically involves multi-step organic reactions, showcasing the complexity and creativity required in organic chemistry.
  • Environmental Considerations: As with many organophosphate compounds, it is important to consider the environmental impact, particularly its persistence and potential toxicity.

In summary, bis(2-chloroethyl) (3-chloro-4-methyl-2-oxo-chromen-7-yl) phosphate not only represents a unique molecular architecture but also offers insight into the interplay between chemical structures and biological functions. Its study could pave the way for innovations in drug development and cancer therapy.

Synonyms
Haloxon
321-55-1
Eustidil
Galloxon
Galoxone
Haloxona
Haloxone
Helmirane
Helmiron
Helmirone
Loxon
Haloxonum
3-Chloro-7-hydroxy-4-methylcoumarin bis(2-chloroethyl)phosphate
Haloxone [INN-French]
Haloxonum [INN-Latin]
Haloxona [INN-Spanish]
EINECS 206-289-1
UNII-T8KXA37068
BRN 1271357
DTXSID5046221
AI3-50680
T8KXA37068
96H60
Phosphoric acid, bis(2-chloroethyl) 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
3-Chloro-4-methyl-umbelliferone bis(2-chloroethyl)phosphate
DTXCID3026221
Di-(2-chloroethyl) 3-chloro-4-methylcoumarin-7-yl phosphate
Di-(2-chloroethyl)-3-chloro-4-methyl-7-coumarinyl phosphate
O,O-Bis(2-chloroethyl) O-(3-chloro-4-methyl-7-coumarinyl) phosphate
O,O-Di(2-chloroethyl)-O-(3-chloro-4-methylcoumarin-7-yl)phosphate
3-Chloro-7-hydroxy-4-methyl-2H-1-benzopyran-2-one bis(chloroethyl)phosphate
Ethanol, 2-chloro-, hydrogen phosphate, ester with 3-chloro-7-hydroxy-4-methylcoumarin
Ethanol, 2-chloro-, phosphate diester, ester with 3-chloro-7-hydroxy-4-methylcoumarin
NCGC00160546-01
Haloxone (INN-French)
Haloxonum (INN-Latin)
Luxon
Haloxona (INN-Spanish)
HALOXON (MART.)
HALOXON [MART.]
COUMARIN, 3-CHLORO-7-HYDROXY-4-METHYL-, BIS(2-CHLOROETHYL) PHOSPHATE
Phosphorsaeure-O,O-di-(2-chlorethyl)-O-(3'-chlor-4'-methyl-cumarin-7-yl)ester
Haloxon [INN:BAN]
CAS-321-55-1
Halox Bolus
Halox Wormer Drench
HALOXON [INN]
HALOXON [MI]
phosphoric acid-bis(2-chloroethyl)(3-chloro-4-methyl-7-coumarin)
HALOXON [GREEN BOOK]
SCHEMBL167194
CHEMBL1897362
KULDXINYXFTXMO-UHFFFAOYSA-N
Tox21_111889
bis(2-chloroethyl) (3-chloro-4-methyl-2-oxochromen-7-yl) phosphate
AKOS024370929
Tox21_111889_1
CS-3318
DB11419
NCGC00160546-02
DA-64019
HY-17532
Haloxon, VETRANAL(TM), analytical standard
NS00029219
SR-01000945008
SR-01000945008-1
Q27289815
3-Chloro-4-methyl-2-oxo-2H-chromen-7-yl bis(2-chloroethyl) phosphate
206-289-1