3-(4-Isopropylphenyl)-1,1-dimethylurea

Basic Information

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CAS Number

34123-59-6

Molecular Formula

C12H18N2O

Molecular Weight

206.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

156.0 to 160.0 deg-C

Boiling Point

345.15°C (rough estimate)

Refractive Index

1.4760 (estimate)

SMILES

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CC(C)C1=CC=C(C=C1)NC(=O)N(C)C

InChI

InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)

InChIKey

PUIYMUZLKQOUOZ-UHFFFAOYSA-N

LogP

2.903500000000001

Topological Polar Surface Area

32.34 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

206

Safety Information

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GHS Hazard Pictograms

H351

H410

Hazard Statement

H351 Suspected of causing cancer
Carcinogenicity

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

Hazard Class

Class 9 Class 9

Toxicity

LD50 in mice, rats (mg/kg): 3350, 3600 orally (Thizy, 1972)

Synonyms & References

English

Urea, 3-p-cumenyl-1,1-dimethyl-
FT-0613679
1,1-dimethyl-3-(4-propan-2-ylphenyl)urea
EINECS 251-835-4
CGA-18731
DTXSID1042077
1,1-dimethyl-3-(p-isopropylphenyl)-urea
35689 R.P.
DTXCID9022077
N,N-Dimethyl-N'-(4-(1-methylethyl)phenyl)urea
N,N-Dimethyl-N'-[4-(1-methylethyl)phenyl]urea
Q2184565
I0843
NCGC00255738-01
Graminon
3,3-dimethyl-1-[4-(propan-2-yl)phenyl]urea
DPX 6774
N-(4-Isopropylphenyl)-N',N'-dimethylurea
ISOPROTURON [MI]
MFCD00078684
GS-3581
J-019459
Zodiac TX
3-(4-isopropylphenyl)-1,1-dimethyl-urea;Isoproturon
NS00000260
Isoproturon 100 microg/mL in Acetonitrile
N-(4-Isopropylphenyl)-N',N'-dimethylharnstoff [German]
CHEMBL2251591
N-(Isopropyl-4-phenyl)-N',N'-dimethyluree [French]
3-p-Cumenyl-1,1-dimethylurea
IP-Flo

MDL Number

MFCD00078684

Customs Code

2924299039

FAQ

What are the physical and chemical properties of 3-(4-Isopropylphenyl)-1,1-dimethylurea (CAS: 34123-59-6)?

3-(4-Isopropylphenyl)-1,1-dimethylurea (CAS: 34123-59-6) is a white crystalline solid with a molecular weight of 230.33 g/mol. It has a melting point of 105-107°C and is slightly soluble in water. This compound is reactive and susceptible to hydrolysis under basic conditions. It is stable under normal storage conditions but should be protected from strong acids and bases.

How is 3-(4-Isopropylphenyl)-1,1-dimethylurea (CAS: 34123-59-6) typically synthesized?

3-(4-Isopropylphenyl)-1,1-dimethylurea is typically synthesized by reacting 4-isopropylaniline with dimethylcarbonate in the presence of a base such as potassium carbonate. The reaction is conducted in a solvent like N,N-dimethylformamide (DMF) at elevated temperature (typically around 100°C). The yield is generally high, and the product is isolated by filtration and recrystallization.

What industries use 3-(4-Isopropylphenyl)-1,1-dimethylurea (CAS: 34123-59-6)?

3-(4-Isopropylphenyl)-1,1-dimethylurea (CAS: 34123-59-6) is used in the pharmaceutical industry for its potential as an antifungal agent. It is also utilized in the production of certain polymers and as a precursor in the synthesis of other organic compounds. Its applications in sensors and semiconductors are limited but ongoing research is exploring its potential in these fields.

What precautions should be taken when handling 3-(4-Isopropylphenyl)-1,1-dimethylurea (CAS: 34123-59-6)?

When handling 3-(4-Isopropylphenyl)-1,1-dimethylurea (CAS: 34123-59-6), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or within a fume hood to minimize inhalation risks. In case of a spill, it should be contained and cleaned up using appropriate procedures, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.