Dimethyl (2-oxo-4-phenylbutyl)phosphonate

Basic Information

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CAS Number

41162-19-0

Molecular Formula

C12H17O4P

Molecular Weight

256.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Boiling Point

362.7°C at 760 mmHg

Flash Point

>110°C

SMILES

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COP(=O)(CC(=O)CCC1=CC=CC=C1)OC

InChI

InChI=1S/C12H17O4P/c1-15-17(14,16-2)10-12(13)9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3

InChIKey

ONYIBVIIOCEBIV-UHFFFAOYSA-N

LogP

2.674200000000001

Topological Polar Surface Area

52.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

276

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

SCHEMBL187684
PhCH2CH2COCH2PO(OMe)2
SY277901
Phosphonic acid, P-(2-oxo-4-phenylbutyl)-, dimethyl ester
1-dimethoxyphosphoryl-4-phenylbutan-2-one
(2-oxo-4-phenyl-butyl)-phosphonic acid dimethyl ester
Y26PAB8A42
Dimethyl 2-Oxo-4-phenylbutylphosphonate
Dimethyl (2-oxo-4-phenylbutyl)phosphonate
dimethyl-(2-oxo-4-phenylbutyl)phosphonate
J-520359
AMY24740
dimethyl (2-oxo-4-phenylbutyl)-phosphonate
Phosphonic acid, (2-oxo-4-phenylbutyl)-, dimethyl ester
AKOS016009822
BCP21712
CS-0150155
41162-19-0
FT-0652507
Dimethyl(2-oxo-4-phenylbutyl)phosphonate
AC-5956
ONYIBVIIOCEBIV-UHFFFAOYSA-N
Dimethyl P-(2-oxo-4-phenylbutyl)phosphonate
MFCD02093040
DTXSID50370063
Phosphonicacid, (2-oxo-4-phenylbutyl)-, dimethyl ester (9CI)
(2-Oxo-4-phenylbutyl)phosphonic acid dimethyl ester

MDL Number

MFCD02093040

Customs Code

2931900090

FAQ

What is Dimethyl (2-oxo-4-phenylbutyl)phosphonate (CAS: 41162-19-0)?

Dimethyl (2-oxo-4-phenylbutyl)phosphonate is a colorless to slightly amber liquid with a molecular formula of C12H18O3P. It is used in various applications due to its unique chemical properties, including pharmaceuticals, resins, and as a reagent in organic synthesis.

What are the main uses of Dimethyl (2-oxo-4-phenylbutyl)phosphonate (CAS: 41162-19-0)?

Dimethyl (2-oxo-4-phenylbutyl)phosphonate is primarily used in the pharmaceutical industry as an intermediate in the synthesis of drugs. It is also utilized in the production of resins and as a reagent in organic synthesis for academic and industrial research.

Is Dimethyl (2-oxo-4-phenylbutyl)phosphonate (CAS: 41162-19-0) safe?

Dimethyl (2-oxo-4-phenylbutyl)phosphonate is generally safe when handled with appropriate precautions. Users should be aware of potential skin and eye irritation. Protective measures include wearing gloves, goggles, and appropriate protective clothing. Avoid inhalation and ingestion.

How should Dimethyl (2-oxo-4-phenylbutyl)phosphonate (CAS: 41162-19-0) be stored?

Dimethyl (2-oxo-4-phenylbutyl)phosphonate should be stored in a cool, dry place, away from direct sunlight and heat sources. Store in a tightly closed container to prevent moisture absorption. Maintain temperature below 25°C and ensure proper ventilation during storage.