Dibutyl hydrogen phosphate

Basic Information

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CAS Number

107-66-4

Molecular Formula

C8H19O4P

Molecular Weight

210.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Melting Point

-13°C

Boiling Point

138°C

Refractive Index

1.427-1.429

SMILES

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CCCCOP(=O)(O)OCCCC

InChI

InChI=1S/C8H19O4P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3,(H,9,10)

InChIKey

JYFHYPJRHGVZDY-UHFFFAOYSA-N

LogP

2.7202000000000015

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

146

Safety Information

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Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

H303 May be harmful if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Hazard Class

Class 8 Class 8

Synonyms & References

English

EC 203-509-8
NCGC00164273-01
NCGC00164273-02
BRN 0607224
NSC289390
DTXCID1020728
NS00009170
EINECS 203-509-8
DTXSID3040728
P0260
CS-0113589
Phosphoric acid dibutyl ester
Di-n-butylphosphoric acid
P0267
Phosphoric acid di-n-butyl ester
Dibutyl acid phosphate
AI3-07849
19069-28-4
107-66-4
DP 4 (coupling agent)
DIBUTYL PHOSPHATE
NCGC00255084-01
CAS-107-66-4
UNII-0072NN74TN
4-01-00-01530 (Beilstein Handbook Reference)
MFCD00015245
Q20963648
Di-n-butyl hydrogen phosphate
DIBUTYL PHOSPHATE [HSDB]
AKOS009029141
Di-n-butyl phosphate

MDL Number

MFCD00015245

Customs Code

2919900090

FAQ

What are the physical and chemical properties of Dibutyl hydrogen phosphate (CAS: 107-66-4)?

Dibutyl hydrogen phosphate is a colorless to slightly yellow liquid with a molecular weight of approximately 268.4 g/mol. It has a low melting point of around -7.5°C and a boiling point of approximately 215°C. Dibutyl hydrogen phosphate is slightly soluble in water but miscible with most organic solvents. It is known for its good solubility in alcohols and ethers. Chemically, it is highly reactive towards bases and can undergo hydrolysis to form dibutyl phosphate and water.

How is dibutyl hydrogen phosphate (CAS: 107-66-4) typically synthesized?

Dibutyl hydrogen phosphate can be synthesized by the reaction of butyl chloride with sodium hydrogen phosphate in the presence of a base like sodium hydroxide. The reaction is carried out in an aprotic solvent such as tetrahydrofuran (THF) or dimethylformamide (DMF). The process involves the displacement of the chloride ion by the phosphate ion, forming dibutyl hydrogen phosphate as the major product. The yield and selectivity of the reaction are influenced by the choice of base and the reaction conditions.

What industries use dibutyl hydrogen phosphate (CAS: 107-66-4)?

Dibutyl hydrogen phosphate finds applications across various industries. It is commonly used in the production of polyurethane foams, as a surfactant in paints and coatings, and in the synthesis of pharmaceuticals. Additionally, it is utilized in the manufacturing of adhesives, explosives, and as a flame retardant in polymers. Its reactivity and solubility properties make it suitable for applications in sensors and semiconductors.

What precautions should be taken when handling dibutyl hydrogen phosphate (CAS: 107-66-4)?

When handling dibutyl hydrogen phosphate, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the use of a fume hood to minimize inhalation of fumes. Store the compound in a well-ventilated area, away from sources of heat and ignition. In case of a spill, neutralize the acid with a base if necessary, then clean up using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.