(Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate

Basic Information

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CAS Number

31618-90-3

Molecular Formula

C12H19O6PS

Molecular Weight

322.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Melting Point

18-23°C

Boiling Point

137°C/0.02mmHg

Flash Point

220.9°C

Refractive Index

1349

SMILES

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CCOP(=O)(COS(=O)(=O)C1=CC=C(C=C1)C)OCC

InChI

InChI=1S/C12H19O6PS/c1-4-16-19(13,17-5-2)10-18-20(14,15)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3

InChIKey

UOEFFQWLRUBDME-UHFFFAOYSA-N

LogP

2.9239200000000016

Topological Polar Surface Area

78.9 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

412

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

DTXSID60400648
UOEFFQWLRUBDME-UHFFFAOYSA-N
9K73UH7E54
A820931
EN300-6501597
FT-0602108
(Diethoxyphosphoryl)methyl4-methylbenzenesulfonate
Tosyloxymethyl Diethyl Phosphonate
Phosphonic acid, [[[(4-methylphenyl)sulfonyl]oxy]methyl]-, diethyl ester
D4968
diethyl [(4-methylbenzenesulfonyl)oxy]methanephosphonate
C12H19O6PS
AC-334
Diethyl (tosyloxy)methylphosphonate
(Diethoxyphosphoryl)methyl 4-methylbenzene-1-sulfonate
DETHYL(TOSYLOXY)METHYLPHOSPHONATE
Diethyl P-[[[(4-methylphenyl)sulfonyl]oxy]methyl]phosphonate
diethoxyphosphorylmethyl 4-methylbenzenesulfonate
(p-Toluenesulfonyloxymethyl)phosphonic Acid Diethyl Ester
MFCD03412078
AS-15419
4-methylbenzenesulfonic acid diethoxyphosphorylmethyl ester
CS-W019678
BCP13832
diethyl p-toluene sulfonyloxy methylphosphonate
Phosphonic acid, P-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-, diethyl ester
iethyl p-toluenesulfonyloxymethylphosphonate
(Diethoxyphosphoryl)methyl-4-methylbenzenesulfonate
diethyl (tosyloxy)methyl phosphonate
31618-90-3
NS00125736

MDL Number

MFCD03412078

Customs Code

2930909090

FAQ

What is (Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate (CAS: 31618-90-3)?

Chemically known as (Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate (CAS: 31618-90-3), it is an organosulfonate compound containing a phosphonyl group. This compound is characterized by its ester functionality and is commonly used in chemical synthesis as an intermediate. It is typically a colorless to pale yellow liquid with a molecular formula of C12H17O6PS.

What are the main uses of (Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate (CAS: 31618-90-3)?

This compound is primarily used in pharmaceutical research and industrial applications. It serves as a key intermediate in the synthesis of various drugs and organic compounds. Additionally, it finds use in organic chemistry research for producing derivatives and in certain specialized chemical processes where phosphonyl functionality is required.

Is (Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate (CAS: 31618-90-3) safe?

The safety of (Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate depends on proper handling. It is generally considered hazardous due to its potential to cause skin and eye irritation. Safety data sheets recommend using personal protective equipment such as gloves and goggles. Always follow standard laboratory safety protocols when working with this compound.

How should (Diethoxyphosphoryl)methyl 4-methylbenzenesulfonate (CAS: 31618-90-3) be stored?

This compound should be stored in a cool, dry, and well-ventilated area away from light. It is best kept in a sealed container at a temperature below 25°C and with low humidity. Avoid exposure to moisture and incompatible substances to ensure stability and safety during storage.