2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one

Basic Information

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CAS Number

81777-89-1

Molecular Formula

C12H14ClNO2

Molecular Weight

239.7 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

25°C

Boiling Point

275.4°C

Density

1.192

Water Solubility

1.101g/L(temperature not stated)

Flash Point

157 °C

Refractive Index

1.5388 (estimate)

SMILES

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O=C1N(CC2=CC=CC=C2Cl)OCC1(C)C

InChI

InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3

InChIKey

KIEDNEWSYUYDSN-UHFFFAOYSA-N

LogP

2.6400000000000006

pKa

-1.48±0.40(Predicted)

Topological Polar Surface Area

29.540000000000003 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

280

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H331

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H331 Toxic if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

LD50 in male rats, female rats, mallard duck-bobwhite quail (mg/kg): 2077, 1369, >2510 orally; in rabbits (mg/kg): >2000 dermally (Chen)

Synonyms & References

English

2-((2-chlorophenyl)methyl)-4,4-dimethyl-3-isoxazolidinon
2-(2-Chlorobenzyl)-4,4-dimethyl-3-isoxazolidinone
dimethazone
3-Isoxazolidinone, 2-(2-chlorophenyl)methyl-4,4-dimethyl-
clomazone (bsi,ansi,draft e-iso,draft f-iso)
Clomazon
Comazone
Dimethazon
2-(2-Chlorobenzyl)-4,4-dimethylisoxazolidin-3-one
2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one
2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone
Clomazone
Dimethazone
2-(2-chlorophenzyl)-4,4-dimethylisoxazolidin-3-one
Different evil grass loosely
CLOMAXONE
Clomazoneneat
Command Solution
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
COMMAND
COMMAND,100MG,NEAT
gamit
Isooxadiazon
FMC 57020
EPA Pesticide Chemical Code 125401
570RAC03NF
KIEDNEWSYUYDSN-UHFFFAOYSA-N
FMC57020
2-((2-Chlorophenyl)methyl)-4,4-dimethyl-3-isoxazolidinone
3-Isoxazolidinone, 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-
3-ISOXAZOLIDINONE, 2-((2-CHLOROPHENYL)MET

MDL Number

MFCD00072457

Customs Code

2934999027

FAQ

What is 2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one (CAS: 81777-89-1)?

2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one (CAS: 81777-89-1) is a synthetic organic compound belonging to the oxazolidinone class. Its chemical formula is C12H15NOCl, featuring a five-membered oxazolidinone ring with a 2-chlorobenzyl substituent and two methyl groups at the 4,4 positions. It is known for its stability and reactivity in chemical synthesis, commonly used as an intermediate in pharmaceutical and industrial applications.

What are the main uses of 2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one (CAS: 81777-89-1)?

This compound is primarily utilized in pharmaceutical research as a key intermediate for synthesizing antibiotics and other bioactive molecules. It also finds applications in organic chemistry for functional group modifications and in industrial processes involving polymerization or catalysis. Its unique structure makes it valuable for drug development and chemical innovation.

Is 2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one (CAS: 81777-89-1) safe?

Safety of 2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one (CAS: 81777-89-1) depends on handling conditions. It is generally considered low to moderately toxic upon exposure, requiring proper protective measures such as gloves, goggles, and ventilation. Always follow safety standards like OSHA guidelines and consult Safety Data Sheets (SDS) for specific precautionary advice.

How should 2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one (CAS: 81777-89-1) be stored?

Store 2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one (CAS: 81777-89-1) in a cool, dry place away from light and incompatible materials. Maintain temperature below 25°C and humidity levels below 60% to ensure stability. Use sealed, airtight containers and keep it in a well-ventilated area to prevent degradation or contamination.