Tetrabutylphosphonium bromide

Basic Information

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CAS Number

3115-68-2

Molecular Formula

C16H36BrP

Molecular Weight

339.33 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Melting Point

103.0 to 106.0 deg-C

Boiling Point

Water Solubility

ca 70 g/100 mL

SMILES

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CCCC[P+](CCCC)(CCCC)CCCC.[Br-]

InChI

InChI=1S/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1

InChIKey

RKHXQBLJXBGEKF-UHFFFAOYSA-M

LogP

3.20840

Complexity

116

Safety Information

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GHS Hazard Pictograms

H302

H311

H315

H318

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Stability

hygroscopic

Sensitiveness

Hygroscopic

Synonyms & References

English

NCGC00258255-01
Phosphonium, tetrabutyl-, bromide (1:1)
WLN: 4P4&4&4 &E
Tetrabutylphosphoniumbromide
J-018264
tetra-n--butylphosphonium bromide
AKOS015833022
CAS-3115-68-2
NS00082114
A820742
tetrabutylphosphanium bromide
PX 4B
tetrabutylphosphanium;bromide
2953275L2K
tetra-n-butylphosphoniumbromide
DTXCID6027921
Tox21_200701
CS-W009414
FT-0634675
Q27254381
NSC-41942
Phosphonium, tetrabutyl-, bromide
AS-12267
J-524847
Tetrabutylphosphonium bromide
EINECS 221-487-8
CHEMBL3185844
1-(3-methoxypropoxy)butane;Tetra-n-butylphosphonium bromide
NSC 41942
RKHXQBLJXBGEKF-UHFFFAOYSA-M
D97390

MDL Number

MFCD00011853

Customs Code

29310095

FAQ

What is Tetrabutylphosphonium bromide (CAS: 3115-68-2)?

Tetrabutylphosphonium bromide is a quaternary phosphonium compound with the chemical formula (C4H9)4PBr. It is a colorless, viscous liquid with low solubility in water but good solubility in organic solvents. Known for its role as a phase transfer catalyst, it exhibits basic properties and is commonly used in organic synthesis and industrial processes. Its CAS number is 3115-68-2, ensuring accurate identification in chemical databases.

What are the main uses of Tetrabutylphosphonium bromide (CAS: 3115-68-2)?

Tetrabutylphosphonium bromide is widely used as a phase transfer catalyst in pharmaceuticals, organic chemistry, and industrial applications. It facilitates reactions between aqueous and organic phases, aiding in the synthesis of complex molecules. Additionally, it serves as a reagent in polymerization processes and is employed in research for developing new chemical methodologies. Its versatility makes it a key compound in catalytic and synthetic chemistry.

Is Tetrabutylphosphonium bromide (CAS: 3115-68-2) safe?

Tetrabutylphosphonium bromide is generally considered safe when handled properly, but it may cause skin or eye irritation. Safety standards recommend using appropriate protective equipment, such as gloves and goggles, during handling. While not classified as highly toxic by major regulatory bodies, it should be stored and used in well-ventilated areas to minimize exposure risks. Always follow established safety protocols for chemical work.

How should Tetrabutylphosphonium bromide (CAS: 3115-68-2) be stored?

Tetrabutylphosphonium bromide should be stored in a cool, dry place, preferably below 25°C, to maintain stability. It is sensitive to moisture, so airtight containers are essential. Avoid exposure to light and store in a dark environment to prevent degradation. Ensure proper labeling and keep away from incompatible materials to ensure long-term safety and efficacy. CAS number 3115-68-2 is critical for correct storage and handling guidelines.