Diphosphoric acid, mono(3-methyl-3-butenyl) ester, triammonium salt (9CI)

Basic Information

View in Editor

CAS Number

116057-53-5

Molecular Formula

C5H21N3O7P2

Molecular Weight

297.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Agricultural Chemicals Pesticides Insecticides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

SMILES

View in Editor

CC(=C)CCOP(=O)(O)OP(=O)(O)O.N.N.N

InChI

InChI=1S/C5H12O7P2.3H3N/c1-5(2)3-4-11-14(9,10)12-13(6,7)8;;;/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8);3*1H3

InChIKey

JREYOWJEWZVAOR-UHFFFAOYSA-N

LogP

1.6648999999999996

Topological Polar Surface Area

218.29000000000002 Å²

Hydrogen Bond Donor/Acceptor

12 / 10

Complexity

293

Safety Information

View Safety Information

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H370 Causes damage to organs
Specific target organ toxicity, single exposure

Synonyms & References

English

AKOS025294130
J-003376
IPP
azane;3-methylbut-3-enyl phosphono hydrogen phosphate
DTXSID80554011
FT-0670478
116057-53-5
3-Methylbut-3-en-1-yl trihydrogen diphosphate--ammonia (1/3)
Diphosphoric acid,mono(3-methyl-3-butenyl) ester, triammonium salt (9CI)
ISOPENTENYL PYROPHOSPHATE TRIAMMONIUM SALT SOLUTION
Isopentenyl Pyrophosphate Triammonium Salt
azane,3-methylbut-3-enyl phosphono hydrogen phosphate
ISOPENTENYL PYROPHOSPHATE TRIAMMONIU
TriaMMoniuM 3-Methyl-3-butenyl Pyrophosphate
Isopentenyl pyrophosphate solution triammonium salt
Diphosphoric Acid Mono(3-Methyl-3-butenyl) Ester TriaMMoniuM Salt

MDL Number

MFCD00189839

FAQ

What are the physical and chemical properties of Diphosphoric acid, mono(3-methyl-3-butenyl) ester, triammonium salt (CAS: 116057-53-5)?

Diphosphoric acid, mono(3-methyl-3-butenyl) ester, triammonium salt is a crystalline solid with a molecular weight of approximately 334.42 g/mol. It is slightly soluble in water and has a pKa of around 3.7. This compound is relatively inert in most chemical reactions but can undergo hydrolysis in basic solutions. It is used in various applications due to its unique properties.

How is Diphosphoric acid, mono(3-methyl-3-butenyl) ester, triammonium salt (CAS: 116057-53-5) typically synthesized?

Diphosphoric acid, mono(3-methyl-3-butenyl) ester, triammonium salt is typically synthesized through the esterification of diphosphoric acid with 3-methyl-3-butenol and subsequent quaternization with ammonia. The reaction is catalyzed by a tertiary amine and carried out under mild conditions to ensure high selectivity and yield.

What industries use Diphosphoric acid, mono(3-methyl-3-butenyl) ester, triammonium salt (CAS: 116057-53-5)?

Diphosphoric acid, mono(3-methyl-3-butenyl) ester, triammonium salt finds applications in the pharmaceutical industry for the synthesis of certain active pharmaceutical ingredients. It is also used in the polymer industry as a catalyst or stabilizer. Additionally, it is utilized in the production of sensors and in semiconductor manufacturing processes.

What precautions should be taken when handling Diphosphoric acid, mono(3-methyl-3-butenyl) ester, triammonium salt (CAS: 116057-53-5)?

When handling Diphosphoric acid, mono(3-methyl-3-butenyl) ester, triammonium salt, it is essential to wear appropriate personal protective equipment, including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. In case of spillage, neutralize with an appropriate alkaline agent and dispose of according to local hazardous waste regulations. Refer to the Material Safety Data Sheet (MSDS) for detailed safety information.