-
Name
Dibutylurea
- EINECS 217-258-7
- CAS No. 1792-17-2
- Article Data126
- CAS DataBase
- Density 0.897 g/cm3
- Solubility
- Melting Point 65-75 °C
- Formula C9H20N2O
- Boiling Point 310.9 °C at 760 mmHg
- Molecular Weight 172.271
- Flash Point 124.1 °C
- Transport Information
- Appearance white to pink or light beige crystalline powder
- Safety 24/25
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Urea,1,3-dibutyl- (6CI,7CI,8CI);1,3-Di-n-butylurea;1,3-Dibutylurea;Dibutylurea;N,N'-Di-n-butylurea;N,N'-Dibutylurea;NSC 131939;SRI 434-37;
- PSA 41.13000
- LogP 2.66760
Dibutylurea Specification
The Dibutylurea with the CAS number 1792-17-2 is also called Urea, N,N'-dibutyl-. Both the systematic name and IUPAC name are 1,3-dibutylurea. Its molecular formula is C9H20N2O. The EINECS registry number is 217-258-7. This chemical is white to pink or light beige crystalline powder. While using this chemical, you should avoid it contact with skin and eyes.
The properties of the Dibutylurea are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.38; (6)ACD/BCF (pH 7.4): 26.38; (7)ACD/KOC (pH 5.5): 362.21; (8)ACD/KOC (pH 7.4): 362.21; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 50.96 cm3; (15)Molar Volume: 191.8 cm3; (16)Polarizability: 20.2×10-24cm3; (17)Surface Tension: 30.5 dyne/cm; (18)Enthalpy of Vaporization: 55.17 kJ/mol; (19)Vapour Pressure: 0.000584 mmHg at 25°C.
Preparation: This chemical can be prepared by the reaction of butylamine and carbon monoxide. This reaction needs reagent sulfur at temperature of 120 °C.
Uses: This chemical can prepare dibutylcarbodiimide. This reaction needs reagent (C6H5)3PBr2, (C2H5)3N and solvent CH2Cl2 at temperature of 0 °C. The reaction time is 60 hours. The yield is 90%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCCC)NCCCC
(2)InChI: InChI=1/C9H20N2O/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)
(3)InChIKey: AQSQFWLMFCKKMG-UHFFFAOYAI
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