Diethyl (3-methoxybenzyl)phosphonate

Basic Information

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CAS Number

60815-18-1

Molecular Formula

C12H19O4P

Molecular Weight

258.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Melting Point

No data available

Boiling Point

135°C/0.5mmHg

Density

1.110±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

187.3±43.5 °C

Refractive Index

1.5020-1.5060

SMILES

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O=P(CC1=CC=CC(OC)=C1)(OCC)OCC

InChI

InChI=1S/C12H19O4P/c1-4-15-17(13,16-5-2)10-11-7-6-8-12(9-11)14-3/h6-9H,4-5,10H2,1-3H3

InChIKey

IGGMUQNGGBRXFB-UHFFFAOYSA-N

LogP

3.4613000000000014

Topological Polar Surface Area

44.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

247

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

Diethyl 3-methoxybenzylphosphonate
Diethyl (3-Methoxybenzyl)phosphonate
(3-Methoxybenzyl)Phosphonic Acid Diethyl Ester
1-(diethoxyphosphorylmethyl)-3-methoxybenzene
3-(Diethylphosphonomethyl)anisole
Phosphonic acid, [(3-methoxyphenyl)methyl]-, diethyl ester
Diethyl3-methoxybenzylphosphonate
1-(diethoxyphosphorylmethyl)-3-methoxy-benzene
C12H19O4P
EBD2150
IGGMUQNGGBRXFB-UHFFFAOYSA-N
ST
(3-Methoxybenzyl)phosphonic Acid Diethyl Ester

MDL Number

MFCD08276363

Customs Code

2931900090

FAQ

What is Diethyl (3-methoxybenzyl)phosphonate (CAS: 60815-18-1)?

Diethyl (3-methoxybenzyl)phosphonate (CAS: 60815-18-1) is an organophosphate compound with the molecular formula C12H19NO3P. It is a colorless to slightly yellow liquid with a distinct odor. This compound is used in various applications including pharmaceuticals and research due to its unique chemical properties.

What are the main uses of Diethyl (3-methoxybenzyl)phosphonate (CAS: 60815-18-1)?

Diethyl (3-methoxybenzyl)phosphonate (CAS: 60815-18-1) is primarily used in the synthesis of other organic compounds and as a reagent in pharmaceutical research. It is also utilized in the food industry for specific applications and as a component in certain products.

Is Diethyl (3-methoxybenzyl)phosphonate (CAS: 60815-18-1) safe?

Diethyl (3-methoxybenzyl)phosphonate (CAS: 60815-18-1) can be considered safe when handled with appropriate precautions. However, it is important to follow safety guidelines to avoid inhalation, skin contact, and ingestion. Protective equipment such as gloves and goggles should be worn during handling.

How should Diethyl (3-methoxybenzyl)phosphonate (CAS: 60815-18-1) be stored?

Diethyl (3-methoxybenzyl)phosphonate (CAS: 60815-18-1) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. Storage at room temperature (15-25°C) is recommended to maintain the integrity of the compound.