S-[(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl phosphorodithioate

Basic Information

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CAS Number

2310-17-0

Molecular Formula

C12H15ClNO4PS2

Molecular Weight

367.82 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

47.5-48°

Boiling Point

446.7°C at 760 mmHg

Density

0.7910

Refractive Index

1.608

SMILES

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CCOP(=S)(OCC)SCN1C(=O)OC2=C1C=CC(Cl)=C2

InChI

InChI=1S/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

InChIKey

IOUNQDKNJZEDEP-UHFFFAOYSA-N

LogP

4.236100000000003

Topological Polar Surface Area

53.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

418

Safety Information

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GHS Hazard Pictograms

H301

H312

H317

H332

H410

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H317 May cause an allergic skin reaction
Sensitization, Skin

H332 Harmful if inhaled
Acute toxicity, inhalation

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Sensitive to light

Toxicity

LD50 in mice, female, male rats, guinea pigs (mg/kg): 180-205, 135-170, 120, 82-150 orally; female rats (mg/kg): 390 dermally (Colinese, Terry)

Synonyms & References

English

Phosalone
6-Chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one
S-[(6-Chloro-2-oxo-3(2H)-benzoxazolyl)methyl]phosphorodithioic acid O,O-diethyl ester
Phosalone solution
AZOFENE
benzophosphate
p-974
Ribitox
RUBITOX
S-[(6-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl phosphorodithioate
S-[(6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl] O,O-diethyl phosphorodithioate
S-6-chloro-2,3-dihydro-2-oxo-1,3-benzoxazol-3-ylmethyl O,O-diethyl phosphorodithioate
S-6-chloro-2,3-dihydro-2-oxobenzoxazol-3-ylmethyl O,O-diethyl phosphorodithioate
zolon
ZOLONE
Zoolon
Phosphorodithioicacid, O,O-diethyl ester, S-ester with 6-chloro-3-(mercaptomethyl)-2-benzoxazolinone(7CI,8CI)
3-(O,O-Diethyldithiophosphorylmethyl)-6-chlorobenzoxazolinone
6-Chloro-3-(O,O-diethyldithiophosphorylmethyl)benzoxazolone
Agria 1060
Chipman 11974
Fosalon
Fozolone
KB insectes
NIA 9241
O,O-DiethylS-[6-chloro-3-(mercaptomethyl)-2-benzoxazolinone]phosphorodithioate
Phosalon
Phosphorodithioic acid O,O-diethylS-[(6-chloro-2-oxobenzoxazolin-3-yl)methyl] ester
RP 11974
S-(6-Chloro-2-oxobenzoxazolin-3-yl)methyl diethyl phosphorothiolothionate
S-[6-Chloro-3-(mercaptomethyl)-2-benzoxazolinone] O,O-diethylphosphorodithioate

MDL Number

MFCD00055499

Customs Code

2934999021

FAQ

What are the physical and chemical properties of S-[(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl phosphorodithioate (CAS: 2310-17-0)?

S-[(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl phosphorodithioate has a crystalline form and a molecular weight of approximately 411.47 g/mol. It is poorly soluble in water but soluble in organic solvents. The compound is reactive towards nucleophiles and exhibits moderate reactivity with metal ions. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is S-[(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl phosphorodithioate (CAS: 2310-17-0) typically synthesized?

S-[(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl phosphorodithioate is typically synthesized through a multi-step process involving the reaction of chloroacetyl chloride with benzoxazole, followed by the diethyl phosphorodithioate addition. Commonly used catalysts include sulfuric acid, and the yield is generally around 70-80%. The reaction is carried out at room temperature and under an inert atmosphere.

What industries use S-[(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl phosphorodithioate (CAS: 2310-17-0)?

S-[(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl phosphorodithioate is used in the pharmaceutical industry for its potential anti-inflammatory and analgesic properties. It is also used in the polymer industry as a plasticizer and in the development of sensors for detecting specific chemical compounds. Additionally, it may be used in the semiconductor industry for specific applications requiring its unique chemical properties.

What precautions should be taken when handling S-[(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl phosphorodithioate (CAS: 2310-17-0)?

When handling S-[(6-Chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl] O,O-diethyl phosphorodithioate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, immediate action should be taken to contain it and clean it up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed information on safe handling and storage procedures.