4-Methylpentanoyl chloride

Basic Information

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CAS Number

38136-29-7

Molecular Formula

C6H11ClO

Molecular Weight

134.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Boiling Point

144°C

Density

0.986

Flash Point

41.1 °C

Refractive Index

1.4230 to 1.4270

SMILES

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CC(C)CCC(=O)Cl

InChI

InChI=1S/C6H11ClO/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3

InChIKey

SVWCVXFHTHCJJB-UHFFFAOYSA-N

LogP

2.1879999999999997

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

78.6

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H290 May be corrosive to metals
Corrosive to Metals

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

Hazard Class

Class 8/3 Class 8/3

Synonyms & References

English

4-Methylvaleroyl Chloride
D91586
4-methylpentanoyl chloride
gamma-methylvaleroyl chloride
MFCD00018814
M2287
AKOS009217849
4-Methylvaleryl chloride
DTXSID0068072
NS00030344
Pentanoyl chloride, 4-methyl-
Isocaproyl chloride
EINECS 253-801-4
SCHEMBL292181
38136-29-7
FT-0639435
SVWCVXFHTHCJJB-UHFFFAOYSA-N
4-Methylpentanoyl chloride, AldrichCPR
4-methyl-pentanoyl chloride
4-methyl pentanoic acid chloride
AMY33518
BS-23268
EN300-69079
J-515801
4-methylvaleryl chloride
Iso-hexanoyl chloride
Isocapronyl chloride
4-METHYLVALEROYL CHLORIDE
Pentanoyl chloride,4-methyl-
4-Methypentanoyl chloride
PubChem20015

MDL Number

MFCD00018814

Customs Code

2915900090

FAQ

What are the physical and chemical properties of 4-Methylpentanoyl chloride (CAS: 38136-29-7)?

4-Methylpentanoyl chloride (CAS: 38136-29-7) is a colorless liquid with a pungent odor. It has a molecular weight of approximately 142.16 g/mol and a boiling point of 63-65°C. This compound is poorly soluble in water but miscible with organic solvents. It is highly reactive, particularly towards nucleophiles and amines, making it useful in organic synthesis.

How is 4-Methylpentanoyl chloride (CAS: 38136-29-7) typically synthesized?

4-Methylpentanoyl chloride is typically synthesized by the reaction of 4-methylpentanoic acid with thionyl chloride. This process yields a high yield of the desired product. The reaction is usually carried out under anhydrous conditions to prevent hydrolysis and is catalyzed by thionyl chloride. The reaction is exothermic and requires careful temperature control to avoid side reactions.

What industries use 4-Methylpentanoyl chloride (CAS: 38136-29-7)?

4-Methylpentanoyl chloride (CAS: 38136-29-7) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the production of polymers, sensors, and semiconductor materials. This compound serves as a key precursor in organic chemistry due to its reactivity and versatility in various chemical transformations.

What precautions should be taken when handling 4-Methylpentanoyl chloride (CAS: 38136-29-7)?

When handling 4-Methylpentanoyl chloride (CAS: 38136-29-7), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation. Spills should be immediately flushed with water, and the area should be cleaned with an appropriate solvent. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.