2-Chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide

Basic Information

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CAS Number

67129-08-2

Molecular Formula

C14H16ClN3O

Molecular Weight

277.76 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

74-78 °C

Boiling Point

439.2°C at 760 mmHg

Density

1.1900

Flash Point

2 °C

Refractive Index

1.586

SMILES

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CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl

InChI

InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3

InChIKey

STEPQTYSZVCJPV-UHFFFAOYSA-N

LogP

2.729440000000001

Topological Polar Surface Area

38.13 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

303

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Pree
EN300-6486517
67129-08-2
Metazachlore
5-23-04-00126 (Beilstein Handbook Reference)
Metazachlore [ISO-French]
SCHEMBL55016
A835640
W-104729
Metazochlor
CHEMBL2272118
2-CHLORO-2',6'-DIMETHYL-N-(PYRAZOL-1-YLMETHYL)ACETANILIDE
N-((1H-Pyrazol-1-yl)methyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide
EG-0202
Z3234906187
2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
HY-136373
NS00000249
Butisan S
BRN 0621550
Metazachlor [BSI:ISO]
US9138393, Metazachlor
2-Chloro-N-(2,6-dimethylphenyl)-N-[(1H-pyrazol-1-yl)methyl]acetamide
METAZACHLOR [ISO]
US9144538, Metazachlor
D97499
MFCD00055509
Metazachlor, PESTANAL(R), analytical standard
FT-0658709
BDBM181131
Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)-

MDL Number

MFCD00055509

Customs Code

29331990

FAQ

What are the physical and chemical properties of 2-Chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide (CAS: 67129-08-2)?

2-Chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide (CAS: 67129-08-2) is a white crystalline solid with a molecular weight of approximately 345.26 g/mol. It has a melting point around 105-107°C and is slightly soluble in water. The compound is moderately reactive with strong bases and is susceptible to hydrolysis. It is used in various chemical reactions and research applications.

How is 2-Chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide (CAS: 67129-08-2) typically synthesized?

2-Chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide (CAS: 67129-08-2) is typically synthesized using a multi-step process involving the protection of the amine function, followed by condensation reactions and chlorination. The reaction yields are generally good, and the process involves the use of common organic solvents and catalysts such as triethylamine and acetic anhydride.

What industries use 2-Chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide (CAS: 67129-08-2)?

2-Chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide (CAS: 67129-08-2) is primarily used in pharmaceutical research and development. It is also found in applications related to the synthesis of other organic compounds and materials. Some industries that may utilize this compound include pharmaceuticals, organic chemistry, and materials science.

What precautions should be taken when handling 2-Chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide (CAS: 67129-08-2)?

Handling 2-Chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide (CAS: 67129-08-2) requires the use of personal protective equipment (PPE) such as gloves and safety goggles. This compound should be handled in a fume hood to minimize exposure. Proper spill handling procedures should be followed, and the Safety Data Sheet (SDS) should be consulted for detailed information on handling and storage. This compound is moderately reactive and should be stored in a cool, dry place away from strong bases and light.