1,7-dichloroheptan-4-one

Basic Information

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CAS Number

40624-07-5

Molecular Formula

C7H12Cl2O

Molecular Weight

183.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Boiling Point

264.8℃ at 760 mmHg

Flash Point

109.5℃

SMILES

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C(CC(=O)CCCCl)CCl

InChI

InChI=1S/C7H12Cl2O/c8-5-1-3-7(10)4-2-6-9/h1-6H2

InChIKey

SCKUIKDAPAUGBE-UHFFFAOYSA-N

LogP

2.5935000000000006

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

83.6

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

FT-0658062
1,7-dichloroheptan-4-one
1,7-dichloro-4-oxo-heptane
AB01251
O10356
GS-3367
MFCD00019001
1 pound not7-Dichloroheptan-4-one
SCHEMBL1685807
NSC-60201
EN300-68917
40624-07-5
AKOS006283183
1,7-dichloro-heptan-4-one
4-Heptanone, 1,7-dichloro-
NSC60201
4-Heptanone,7-dichloro-
DTXSID60289298
chloropropyl ketone
C7H12Cl2O
CS-W018764
F8880-8448
1,7-Dichloro-4-heptanone
A6790
1,7-Dichloroheptan-4-one
1,7-DICHLORO-4-OXO-HEPTANE
1,7-Dichlor-heptan-4-on
1,7-dichloro-4-heptanone
4-Heptanone,7-dichloro
SCKUIKDAPAUGBE-UHFFFAOYSA-N
PubChem13593

MDL Number

MFCD00019001

Customs Code

2914700090

FAQ

What are the physical and chemical properties of 1,7-dichloroheptan-4-one (CAS: 40624-07-5)?

1,7-Dichloroheptan-4-one (CAS: 40624-07-5) is a crystalline solid with a molecular weight of approximately 198.06 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. Chemically, it is moderately reactive, particularly towards nucleophilic substitution reactions. It is a ketone with two chlorine substituents, making it a potential intermediate in various organic syntheses.

How is 1,7-dichloroheptan-4-one (CAS: 40624-07-5) typically synthesized?

1,7-Dichloroheptan-4-one (CAS: 40624-07-5) can be synthesized by the chlorination of 4-heptanone at suitable conditions. Common methods include catalytic chlorination using thionyl chloride or phosphorus oxychloride. The reaction is performed under anhydrous conditions to prevent side reactions. The yield and selectivity can be optimized by adjusting the reaction parameters such as temperature and concentration.

What industries use 1,7-dichloroheptan-4-one (CAS: 40624-07-5)?

1,7-Dichloroheptan-4-one (CAS: 40624-07-5) is primarily used in the pharmaceutical industry as a precursor in the synthesis of certain drugs. It is also utilized in the polymer industry for the production of special polymers and in the development of sensors for detecting specific chemical species. Additionally, it has potential applications in the semiconductor industry for the fabrication of electronic materials.

What precautions should be taken when handling 1,7-dichloroheptan-4-one (CAS: 40624-07-5)?

When handling 1,7-dichloroheptan-4-one (CAS: 40624-07-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or under a fume hood due to its potential to release toxic fumes. Spills should be cleaned up immediately using appropriate chemical spill kits. Always refer to the safety data sheet (SDS) for detailed handling and safety information.