Ethyl 7-chloro-2-oxoheptanoate

Basic Information

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CAS Number

78834-75-0

Molecular Formula

C9H15ClO3

Molecular Weight

206.67 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

281.2°C at 760 mmHg

Density

1.105

Flash Point

111.3 °C

Refractive Index

1.4510 to 1.4560

SMILES

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CCOC(=O)C(=O)CCCCCCl

InChI

InChI=1S/C9H15ClO3/c1-2-13-9(12)8(11)6-4-3-5-7-10/h2-7H2,1H3

InChIKey

YJJLIIMRHGRCFM-UHFFFAOYSA-N

LogP

1.9178

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

168

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

Sensitiveness

sensitive to heat and air

Synonyms & References

English

Ethyl 7-Chloro-2-Otoheptanoate
YJJLIIMRHGRCFM-UHFFFAOYSA-N
Ethyl 7-chloro-2-oxoheptanoate
BCP13706
SY036348
CAS-78834-75-0
7-Chloro-2-oxoheptanoic Acid Ethyl Ester
E0827
SCHEMBL183581
Q-201083
AC2328
Tox21_113807
ethyl 7-chloro-2-oxo heptanoate
78834-75-0
Heptanoic acid, 7-chloro-2-oxo-, ethyl ester
DTXCID1031622
CS-W015296
DTXSID0057833
NCGC00253683-01
EINECS 278-992-1
Ethyl7-chloro-2-oxoheptanoate
SR-01000944899-1
SR-01000944899
SB67322
NS00038008
A22406
DS-17736
MFCD07698675
AKOS015850587
FT-0641696
AC-8476

MDL Number

MFCD07698675

Customs Code

2918300090

FAQ

What is Ethyl 7-chloro-2-oxoheptanoate (CAS: 78834-75-0)?

Ethyl 7-chloro-2-oxoheptanoate is a chemical compound with the CAS number 78834-75-0. It belongs to the class of esters and has the molecular formula C9H17ClO3. The compound is a colorless liquid with a characteristic odor and is commonly used in organic synthesis. It exhibits moderate solubility in polar solvents and is known for its stability under normal conditions.

What are the main uses of Ethyl 7-chloro-2-oxoheptanoate (CAS: 78834-75-0)?

Ethyl 7-chloro-2-oxoheptanoate is primarily used in pharmaceutical research as an intermediate for the synthesis of various drugs. It also finds applications in the production of specialty chemicals and as a reagent in organic chemistry. Its utility extends to industrial processes and the development of new materials due to its reactive functional groups and structural versatility.

Is Ethyl 7-chloro-2-oxoheptanoate (CAS: 78834-75-0) safe?

Ethyl 7-chloro-2-oxoheptanoate is considered safe when handled properly. However, it should be treated with caution as it may cause skin or eye irritation. Safety standards recommend using appropriate personal protective equipment (PPE) such as gloves and safety goggles. It is not classified as highly toxic, but it is important to follow standard chemical safety protocols to minimize risk.

How should Ethyl 7-chloro-2-oxoheptanoate (CAS: 78834-75-0) be stored?

Ethyl 7-chloro-2-oxoheptanoate should be stored in a cool, dry, and well-ventilated area away from light. It is best kept in a sealed, airtight container at a temperature below 25°C. Avoid exposure to moisture and incompatible substances. Storage conditions should ensure stability and prevent degradation over time.