4-Ethylbenzoyl chloride

Basic Information

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CAS Number

16331-45-6

Molecular Formula

C9H9ClO

Molecular Weight

168.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

42 - 43

Boiling Point

235-236 °C

Refractive Index

n20/D 1.5479(lit.)

SMILES

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CCC1=CC=C(C=C1)C(=O)Cl

InChI

InChI=1S/C9H9ClO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3

InChIKey

AVTLLLZVYYPGFX-UHFFFAOYSA-N

LogP

2.628000000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

137

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

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

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

Benzoyl chloride, 4-ethyl-
AKOS004908205
W-107956
p-ethylbenzoyl chloride
4-ethyl benzoyl chloride
4-ethylbenzoylchloride
4-Ethylbenzoyl chloride, 97%
InChI=1/C9H9ClO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H
AS-31045
4-ethylbenzoic acid chloride
SCHEMBL526436
FT-0618407
16331-45-6
NS00025327
MFCD00000697
DTXSID80167564
4-ethyl benzoyl choride
F0001-0589
4-ethylbenzene-1-carbonyl chloride
4-EthYl-Benzoyl Chloride
4-Ethylbenzoyl chloride
4-ethyl-1-benzenecarbonyl chloride
EINECS 240-404-6
PEBC
4-ETHYLBENZENE-1-CARBONYL CHLORIDE
TIMTEC-BB SBB006540
P-ETHYLBENZOYL CHLORIDE
ETHYLBENZOYL CHLORIDE
PenicillinGProcaineSterileBp98
Benzoyl chloride, 4-ethyl- (9CI)
4-Ethylbenzoyl choride

MDL Number

MFCD00000697

Customs Code

2916399090

FAQ

What is 4-Ethylbenzoyl chloride (CAS: 16331-45-6)?

4-Ethylbenzoyl chloride is an organic compound with the chemical formula C9H9ClO. It is a colorless to white crystalline solid with a benzoyl chloride odor. This compound is used in various applications including pharmaceuticals, fine chemicals, and research reagents.

What are the main uses of 4-Ethylbenzoyl chloride (CAS: 16331-45-6)?

4-Ethylbenzoyl chloride is primarily used as a reagent in organic synthesis, particularly in the preparation of amides and esters. It is also utilized in the pharmaceutical industry for the synthesis of drugs and intermediates, and in the fine chemical industry for producing pigments and dyes.

Is 4-Ethylbenzoyl chloride (CAS: 16331-45-6) safe?

4-Ethylbenzoyl chloride is generally safe when handled with appropriate precautions. It is flammable and may cause irritation if inhaled or contacted with skin. Use in a well-ventilated area and wear protective gloves and goggles. Avoid contact with eyes, skin, and clothing. Keep away from sources of ignition and heat.

How should 4-Ethylbenzoyl chloride (CAS: 16331-45-6) be stored?

4-Ethylbenzoyl chloride should be stored in a cool, dry place away from heat and sources of ignition. Store it in a tightly sealed container to prevent moisture and light from entering. Maintain the storage temperature below 30°C and ensure good ventilation in the storage area to avoid the formation of explosive mixtures with air.