Dimethyl hydrogen phosphate

Basic Information

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CAS Number

813-78-5

Molecular Formula

C2H7O4P

Molecular Weight

126.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Agricultural Chemicals Pesticides Insecticides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

160 ºC

Density

1.314

Flash Point

50 ºC

Refractive Index

1.408-1.41

SMILES

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COP(=O)(O)OC

InChI

InChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)

InChIKey

KKUKTXOBAWVSHC-UHFFFAOYSA-N

LogP

0.3795999999999999

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

81.7

Synonyms & References

English

dimethyl phosphate, AldrichCPR
DIMETHYL PHOSPHATE
NSC-2676
O,O-Dimethyl phosphate
NS00014956
Dimethylhydrogenphosphate
O,O-Dimethyl hydrogen phosphate
DTXCID205150
7-chloro-6-methylimidazo[1,2-a]pyrimidin-5(1H)-one
KFG
4-01-00-01259 (Beilstein Handbook Reference)
Dimethyl hydrogen phosphate
BRN 1702242
UNII-HI4K2C9UEI
MFCD00014887
dimethyl phosphoric acid
BP-21444
EINECS 212-389-6
Methyl phosphate ((MeO)2(HO)PO)
Phosphoric acid, dimethyl ester
SCHEMBL47754
AKOS015965163
Phosphoric acid dimethyl ester
Dimethyl Phosphate (Olaparib Impurity)
NSC 2676
Dimethylphosphate
CAS-813-78-5
HI4K2C9UEI
Tox21_301411
NSC289396
NSC2676

MDL Number

MFCD00014887

Customs Code

2930909027

FAQ

What are the physical and chemical properties of Dimethyl hydrogen phosphate (CAS: 813-78-5)?

Dimethyl hydrogen phosphate (CAS: 813-78-5) is a colorless to light yellow liquid. It has a molecular weight of approximately 108.09 g/mol. The compound is highly soluble in water and ethanol. It reacts readily with bases and is moderately stable under normal conditions. It has a pKa of 1.75, indicating its acidity.

How is Dimethyl hydrogen phosphate (CAS: 813-78-5) typically synthesized?

Dimethyl hydrogen phosphate is typically synthesized by the reaction of phosphoric acid with dimethyl sulfate. The process involves the addition of dimethyl sulfate to water or an alcohol solution of phosphoric acid, followed by workup to obtain the phosphate ester. The reaction is often catalyzed by sulfuric acid and has a yield of about 90%. High selectivity is achieved under controlled conditions.

What industries use Dimethyl hydrogen phosphate (CAS: 813-78-5)?

Dimethyl hydrogen phosphate (CAS: 813-78-5) is used in various industries including pharmaceuticals for synthesizing certain organic compounds, polymers in the production of functionalized polymers, sensors for detecting specific chemicals, and semiconductors in the manufacturing process for silicon wafers. It is also used as a reagent in organic synthesis and catalysis.

What precautions should be taken when handling Dimethyl hydrogen phosphate (CAS: 813-78-5)?

When handling Dimethyl hydrogen phosphate (CAS: 813-78-5), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The substance should be used in a well-ventilated area or a fume hood. Spills should be cleaned up using an appropriate absorbent material and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.