1,3-Diisopropylurea

Basic Information

View in Editor

CAS Number

4128-37-4

Molecular Formula

C7H16N2O

Molecular Weight

144.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

185-190 ºC

Boiling Point

265 ºC

Flash Point

113 ºC

Refractive Index

1.434

SMILES

View in Editor

CC(C)NC(=O)NC(C)C

InChI

InChI=1S/C7H16N2O/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)

InChIKey

BGRWYRAHAFMIBJ-UHFFFAOYSA-N

LogP

1.1023999999999998

Topological Polar Surface Area

41.13 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

98.2

Synonyms & References

English

1,3-Dipropan-2-ylurea
EN300-52576
Urea, 1,3-diisopropyl-
SY083966
SCHEMBL745482
NS00002812
1,3-bis(propan-2-yl)urea
MFCD00276304
Urea,N'-bis(1-methylethyl)-
HMS1788L04
CS-0153995
CHEMBL3186988
NSC 112719
Q27282426
FT-0667207
N,N'-di-isopropylurea
1,3-di(propan-2-yl)urea
(CH3)2-CH-NH-C(O)-NH-CH-(CH3)2
NSC-112719
N,N'-Diisopropylurea
Diquafosol Impurity-DIU
4128-37-4
diisopropyl urea
CAS-4128-37-4
Diptocarpamidine
1,3-Diisopropylurea
AS-75893
N,N'-Bis(isopropyl)urea
Urea, N,N'-bis(1-methylethyl)-
1,3-diisopropyl-urea
AKOS000266567

MDL Number

MFCD00276304

FAQ

What regulatory guidelines apply to 1,3-Diisopropylurea (CAS: 4128-37-4)?

1,3-Diisopropylurea (CAS: 4128-37-4) is classified under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as a skin and eye irritant. In the European Union, it falls under REACH regulations, which require registration if the substance is manufactured or imported in quantities of 1 ton or more per year. FDA and EPA have specific requirements for its use in the United States, including safety data sheets and handling guidelines.

Are there alternatives to 1,3-Diisopropylurea (CAS: 4128-37-4) in synthesis?

Yes, there are several alternatives to 1,3-Diisopropylurea (CAS: 4128-37-4) in synthesis. Common substitutes include isopropyl isocyanate and other urea derivatives. These alternatives offer similar functionality but may have different reactivity and solubility properties, making them suitable for specific synthesis conditions.

What is the market or research trend for 1,3-Diisopropylurea (CAS: 4128-37-4)?

1,3-Diisopropylurea (CAS: 4128-37-4) is used primarily in pharmaceutical and industrial applications. Market trends show increasing demand due to its use in the synthesis of various heterocyclic compounds. Research is focusing on its application in drug discovery and as a reagent in organic synthesis, with ongoing studies exploring its environmental impact and safer alternatives.

How should waste containing 1,3-Diisopropylurea (CAS: 4128-37-4) be handled?

Waste containing 1,3-Diisopropylurea (CAS: 4128-37-4) should be collected in appropriate containers and stored properly to prevent leakage. Neutralization or incineration is recommended for safe disposal. If incineration is not feasible, professional waste disposal services should be utilized. Ensure all safety precautions are followed, including wearing appropriate personal protective equipment and adhering to local environmental regulations.