2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide

Basic Information

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CAS Number

51218-49-6

Molecular Formula

C17H26ClNO2

Molecular Weight

311.85 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Melting Point

25°C

Boiling Point

129°C/0.05mmHg

Flash Point

221.1 °C

Refractive Index

nD20 1.5204

SMILES

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CCCOCCN(C1=C(C=CC=C1CC)CC)C(=O)CCl

InChI

InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3

InChIKey

YLPGTOIOYRQOHV-UHFFFAOYSA-N

LogP

3.8098000000000027

Topological Polar Surface Area

29.540000000000003 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

287

Safety Information

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GHS Hazard Pictograms

H315

H319

H331

H410

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H331 Toxic if inhaled
Acute toxicity, inhalation

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Sensitiveness

light-sensitive

Toxicity

LD50 in rats (mg/kg): 6099 orally; >3100 dermally (Rufener, Quadranti); LC50 in rainbow trout, carp, catfish: 3.0, 3.0, 2.6 ppm (Vogel, Aebi)

Synonyms & References

English

2-Chloro-2',6'-diethyl-N-(2-propoxyethyl)acetanilide
Pretilachlore
MFCD00161476
2-chloro-2',6'-diethyl-N-(2-n-propoxyethyl)-acetanilide
CGA 26423
NCGC00166165-01
Pretilachlor [BSI:ISO]
2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide #
Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)-
Rifit
CHEMBL1867271
retilachlor
CS-0014130
UNII-617K7LM10D
DTXSID8058112
AKOS015889913
Pretilachlor
51218-49-6
Pretilachlor, PESTANAL(R), analytical standard
BIDD:ER0510
2-chloro-2',6'-diethyl-N-(2-propyloxyethyl)acetanilide
BRN 2754162
BCA21849
HY-B2035
2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide
CHEBI:34931
NS00000530
617K7LM10D
Pretilachlor 10 microg/mL in Cyclohexane
SCHEMBL63720
FT-0630642

MDL Number

MFCD00161476

Customs Code

2924299031

FAQ

What are the physical and chemical properties of 2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide (CAS: 51218-49-6)?

2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide (CAS: 51218-49-6) is a white to off-white crystalline solid. Its molecular weight is 353.37 g/mol. It is poorly soluble in water but soluble in organic solvents like dichloromethane and acetone. This compound exhibits moderate reactivity, particularly towards nucleophiles and bases. It has a pKa of approximately 8.5.

How is 2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide (CAS: 51218-49-6) typically synthesized?

2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide (CAS: 51218-49-6) is typically synthesized via a multi-step process involving the reaction of 2-chloroacetyl chloride with 2,6-diethylphenylamine and 2-propoxyethanol. The synthesis involves a condensation reaction followed by an electrophilic aromatic substitution, yielding the desired product in moderate to good yield. Common catalysts include triethylamine and other basic reagents.

What industries use 2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide (CAS: 51218-49-6)?

2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide (CAS: 51218-49-6) is primarily used in the pharmaceutical industry for its medicinal properties. It is also utilized in the polymer industry for its ability to act as a cross-linking agent. Additionally, it finds application in the production of sensors and as a component in semiconductor manufacturing processes.

What precautions should be taken when handling 2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide (CAS: 51218-49-6)?

When handling 2-Chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide (CAS: 51218-49-6), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be stored in a closed container in a cool, dry place, away from direct sunlight and heat sources. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.