3,3-Dimethylbutanoyl chloride

Basic Information

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CAS Number

7065-46-5

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

Density

0.969 g/mL at 25 °C

Water Solubility

Reacts with water.

Refractive Index

n20/D 1.421(lit.)

SMILES

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CC(C)(C)CC(=O)Cl

InChI

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

InChIKey

BUTKIHRNYUEGKB-UHFFFAOYSA-N

LogP

2.1879999999999997

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

91.2

Safety Information

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GHS Hazard Pictograms

H225

H315

H318

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Sensitiveness

Moisture Sensitive

Synonyms & References

English

MFCD00000737
B1196
EN300-21354
F2190-0016
AKOS000121211
tert-Butyl acetyl chloride
BUTKIHRNYUEGKB-UHFFFAOYSA-N
EC 230-356-4
FT-0614078
tert-Butylacetyl chloride
T-butyl-acetyl chloride
ter-butylacetyl chloride
DTXSID4064557
neohexanoyl chloride
3,3-Dimethylbutanoyl chloride; 3,3-Dimethylbutanoic acid chloride; 3,3-Dimethylbutyric acid chloride; 3,3-Dimethylbutyryl chloride; Tert-butylacetyl chloride; tert-Butylacetyl chloride
t-butylacetylchloride
tert-butylacetylchloride
3,3-Dimethylbutyryl chloride, puriss., >=98.5% (GC)
Butyryl chloride, 3,3-dimethyl-
P18012
3,3Dimethylbutanoyl chloride
EINECS 230-356-4
NS00006474
3,3-dimethylbutanoyl chloride
t-butyl acetyl chloride
3,3-dimethyl-butyryl chloride
PB43326
neopentylcarbonyl chloride
tertbutylacetyl chloride
3,3-Dimethylbutyryl chloride, 99%
t-Butylacetyl chloride

MDL Number

MFCD00000737

FAQ

What is 3,3-Dimethylbutanoyl chloride (CAS: 7065-46-5)?

3,3-Dimethylbutanoyl chloride (CAS: 7065-46-5) is a colorless liquid with a sharp odor, serving as an acylating agent in organic chemistry. Its chemical formula is C6H12ClO2, featuring a butanoyl group substituted with two methyl groups on the third carbon. It is reactive, particularly with water and moisture, and commonly used in synthetic processes for pharmaceuticals and industrial applications.

What are the main uses of 3,3-Dimethylbutanoyl chloride (CAS: 7065-46-5)?

3,3-Dimethylbutanoyl chloride (CAS: 7065-46-5) is primarily used in the pharmaceutical industry as an intermediate for synthesizing drugs and active pharmaceutical ingredients. It also finds applications in organic synthesis for creating esters and amides, industrial chemical manufacturing, and research for developing new compounds. Its reactivity makes it valuable in functional group transformations.

Is 3,3-Dimethylbutanoyl chloride (CAS: 7065-46-5) safe?

3,3-Dimethylbutanoyl chloride (CAS: 7065-46-5) is a hazardous chemical with potential toxicity and irritant properties. It may cause skin and eye irritation, and inhalation can be harmful. Safety precautions include handling in a fume hood, wearing gloves and goggles, and avoiding contact with moisture. Proper disposal and adherence to safety standards are essential to mitigate risks.

How should 3,3-Dimethylbutanoyl chloride (CAS: 7065-46-5) be stored?

3,3-Dimethylbutanoyl chloride (CAS: 7065-46-5) should be stored in a cool, dry, and dark place, ideally below 25°C. It requires a sealed container made of inert material (e.g., glass or stainless steel) to prevent exposure to moisture and air. Storage away from incompatible substances ensures stability and safety compliance.