4-Chlorobutyl benzoate

Basic Information

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CAS Number

946-02-1

Molecular Formula

C11H13ClO2

Molecular Weight

212.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

142°C/5.3mmHg

Density

1.143 g/mL at 25 °C

Refractive Index

n20/D 1.519(lit.)

SMILES

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C1=CC=C(C=C1)C(=O)OCCCCCl

InChI

InChI=1S/C11H13ClO2/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

InChIKey

XFFQVVCNZAYQSJ-UHFFFAOYSA-N

LogP

2.862400000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

165

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

Synonyms & References

English

delta-chlorobutyl benzoate
Benzoic acid 4-chloro-n-butyl ester
MFCD00019005
1-Butanol, 4-chloro-, benzoate
NSC 118972
B1399
NSC-118972
A845018
SCHEMBL3793158
XFFQVVCNZAYQSJ-UHFFFAOYSA-
4-Chlorobutyl benzoate
FT-0633174
4-Chlorobutyl benzoate, 97%
InChI=1/C11H13ClO2/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
NSC118972
DTXSID30241545
D88799
CS-0315363
Benzoic Acid 4-Chlorobutyl Ester
AKOS015917492
1-Butanol, 4-chloro-, 1-benzoate
benzoic acid 4-chloro-butyl ester
946-02-1
AS-60236
1-Butanol, 4-chloro-,1-benzoate
4-Chlorobutyl Benzoate
BENZOIC ACID 4-CHLORO-N-BUTYL ESTER
XFFQVVCNZAYQSJ-UHFFFAOYSA-N
4-chlorobutylbenzoate
4-chloranylbutyl benzoate
1-Butanol,4-chloro-,1-benzoate

MDL Number

MFCD00019005

Customs Code

2916310090

FAQ

What regulatory guidelines apply to 4-Chlorobutyl benzoate (CAS: 946-02-1)?

4-Chlorobutyl benzoate (CAS: 946-02-1) falls under the GHS classification as a hazardous chemical due to its chlorine content. It is regulated by REACH in the European Union, requiring manufacturers and importers to register the substance if the annual tonnage exceeds 1 ton. Additionally, the FDA and EPA have specific requirements for its use and disposal in the United States, including record-keeping, reporting, and environmental protection measures.

Are there alternatives to 4-Chlorobutyl benzoate (CAS: 946-02-1) in synthesis?

Alternatives to 4-Chlorobutyl benzoate (CAS: 946-02-1) in synthesis include 4-methylbutyl benzoate, 4-ethylbutyl benzoate, and 4-nitrobutyl benzoate. These compounds can be used as solvents or chemical intermediates, depending on the specific application. Isomers and analogs may also offer similar properties but with different functional groups or substituents.

What is the market or research trend for 4-Chlorobutyl benzoate (CAS: 946-02-1)?

The market for 4-Chlorobutyl benzoate (CAS: 946-02-1) is influenced by its use in various industries such as pharmaceuticals, fragrances, and plasticizers. Research trends show a focus on the development of safer and more sustainable alternatives, driven by stricter environmental regulations and increasing public awareness of chemical safety. Recent studies explore the biodegradability and eco-toxicity of the compound to inform better environmental management strategies.

How should waste containing 4-Chlorobutyl benzoate (CAS: 946-02-1) be handled?

Waste containing 4-Chlorobutyl benzoate (CAS: 946-02-1) should be collected in appropriate containers labeled with the correct hazardous waste symbol. Incineration is a common method of disposal, but professional waste disposal services are recommended to ensure compliance with local regulations. Environmental protection precautions include proper ventilation, protective clothing, and the use of neutralizing agents if necessary. Safe disposal methods should be followed to minimize environmental impact.