2,2-Dimethylbutanoyl chloride

Basic Information

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CAS Number

5856-77-9

Molecular Formula

C6H11ClO

Molecular Weight

134.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Boiling Point

132°C

Water Solubility

Reacts with water. Soluble in chloroform and ethyl acetate.

Flash Point

29°C

Refractive Index

1.4240

SMILES

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CCC(C)(C)C(=O)Cl

InChI

InChI=1S/C6H11ClO/c1-4-6(2,3)5(7)8/h4H2,1-3H3

InChIKey

LDJUYMIFFNTKOI-UHFFFAOYSA-N

LogP

2.1879999999999997

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

96.7

Safety Information

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GHS Hazard Pictograms

H314

H318

H226

Hazard Statement

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

H318 Causes serious eye damage
Serious eye damage/eye irritation

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

EC 227-478-5
MFCD03093071
AKOS009158285
NS00002176
FT-0667341
AMY25715
FT-0609270
2,2-dimethyl-butyryl chloride
XKZ78Q3WJ3
W-105385
2,2-Dimethylbutyryl chloride
LDJUYMIFFNTKOI-UHFFFAOYSA-N
EN300-224794
5856-77-9
Butanoyl chloride, 2,2-dimethyl-
2,2-dimethyl butyryl chloride
DTXSID00207274
2,2-Dimethylbutanoyl chloride, AldrichCPR
2,2-dimethylbutanoyl chloride
EINECS 227-478-5
SCHEMBL388297
2,2-Dimethylbutyrylchloride
2,2-dimethylbutyric acid chloride
A8288
D3987
BS-22425
2,2-Dimethyl Butyryl Chloride
2,2-dimethylButanoyl chloride
DMBC
Butanoylchloride, 2,2-dimethyl-
KSC274K4N

MDL Number

MFCD03093071

Customs Code

2915709000

FAQ

What is 2,2-Dimethylbutanoyl chloride (CAS: 5856-77-9)?

2,2-Dimethylbutanoyl chloride (CAS: 5856-77-9) is an acyl chloride compound with the chemical formula C6H12ClO. It is a colorless to pale yellow liquid, known for its reactivity and characteristic sharp odor. This derivative of 2,2-dimethylbutanoic acid is commonly used in organic synthesis due to its ability to participate in nucleophilic substitution reactions. Its properties include high solubility in organic solvents and sensitivity to moisture and light.

What are the main uses of 2,2-Dimethylbutanoyl chloride (CAS: 5856-77-9)?

2,2-Dimethylbutanoyl chloride (CAS: 5856-77-9) serves as an important intermediate in pharmaceuticals, industrial chemicals, and research. It is utilized in the synthesis of various drugs, polymers, and organic compounds. Its reactivity makes it valuable in chemical reactions such as esterification and amide formation. Additionally, it finds applications in the production of specialty solvents and as a building block for fragrance chemicals.

Is 2,2-Dimethylbutanoyl chloride (CAS: 5856-77-9) safe?

2,2-Dimethylbutanoyl chloride (CAS: 5856-77-9) is considered hazardous and requires careful handling. It may cause skin, eye, and respiratory irritation, and exposure can lead to toxic effects. Safety measures include wearing protective gloves, goggles, and a respirator, and working in a well-ventilated area. Proper storage and adherence to safety data sheets (SDS) are essential to minimize risks. Always follow established safety protocols when handling this compound.

How should 2,2-Dimethylbutanoyl chloride (CAS: 5856-77-9) be stored?

2,2-Dimethylbutanoyl chloride (CAS: 5856-77-9) should be stored in a sealed, airtight container in a cool, dry, and dark place. Maintain storage temperature between 2-8°C to ensure stability. Keep it away from moisture, light, and incompatible materials such as water or strong bases. Store in a well-ventilated area and label clearly to prevent accidental exposure. Always check expiration dates and follow manufacturer guidelines for optimal preservation.