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623-76-7

623-76-7 Structure

623-76-7 Structure
IdentificationMore
[Name]

1,3-Diethylurea
[CAS]

623-76-7
[Synonyms]

1,3-DIETHYLUREA
AKOS B029719
DIETHYLUREA SYMMETRICAL
LABOTEST-BB LT01690259
N,N'-DIETHYLUREA
SYM-DIETHYLUREA
1,3-diethyl-ure
sym-N,N'-Diethylurea
Urea, 1,3-diethyl-
urea,n,n’-diethyl
Urea,N,N’-diethyl-
Diethylurea
N,N'-Diethylurea,97%
Diethylurea, 1,3-
[EINECS(EC#)]

210-811-3
[Molecular Formula]

C5H12N2O
[MDL Number]

MFCD00009028
[Molecular Weight]

116.16
[MOL File]

623-76-7.mol
Questions And AnswerBack Directory
[Synthesis]

A solution of 5 g (0.02 mol) bicaret in 150 ml of 25% sulfuric acid was boiled for 40 h, then cooled to 20°C and neutralized with 40% sodium hydroxide solution. The resulting inorganic salt precipitate was separated, and the filtrate was evaporated to dryness. The residue was dried with 50 ml of ethanol, the inorganic layer was filtered, and the ethanol-water filtrate was evaporated to dryness. The residual water was removed with benzene (4 × 50 ml). The residue produced by distillation was obtained. The residue was crystallized from a mixture of chloroform and diethyl ether (1:1) to give the substance. The hydrolysis product of compound I was formed, and its composition and structure were studied using elemental analysis and PMR spectroscopy. Yield: 2.1 g (70%) and 1,3-diethylurea, yield: 1.2 g (55%). Product ratio: 1:1. Compound II: (boiling point 120-121°C/3 mmHg). Elemental analysis: Carbon content is 53.5%, hydrogen content is 7.6%, C7H12N2O2, calculated value: carbon content 53.8%, hydrogen content 7.6%. PMR spectral parameters: -CH3(Et): 1.25(t), 6H, -CH2-(Et): 1.1(t), 6h, -CH2-(5): 3.56(m), 4H. Compound III: Melting temperature is 109-110℃. Elemental analysis: Elemental composition: 51.6%H, 10.3%H; C5H12N2O; calculated: 51.7%C, 10.3%H. PMR spectral parameters: -CH3(Et): 3.13(q), 4H, -CH2-(Et): 4.92(s), 2H.

Structural formula of 1,3-diethylurea

Figure 1,3-Diethylurea

Chemical PropertiesBack Directory
[Melting point ]

112-113 °C (lit.)
[Boiling point ]

217.23°C (rough estimate)
[density ]

1.0415
[refractive index ]

1.4616 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystaline
[pka]

16.53±0.46(Predicted)
[color ]

White to Almost white
[Water Solubility ]

Soluble in water.
[BRN ]

1744741
[CAS DataBase Reference]

623-76-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Urea, N,N'-diethyl-(623-76-7)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P302+P352-P362+P364
[Hazard Codes ]

F,T
[Risk Statements ]

R11:Highly Flammable.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S15:Keep away from heat .
[WGK Germany ]

3
[RTECS ]

YS9354000
[HS Code ]

2924190090
Hazard InformationBack Directory
[Uses]

N,N'-Diethylurea is used for synthesis of caffeine, theophylline, pharma chemicals, textile aids
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-Diethylurea(623-76-7)MS
1,3-Diethylurea(623-76-7)1HNMR
1,3-Diethylurea(623-76-7)13CNMR
1,3-Diethylurea(623-76-7)IR1
1,3-Diethylurea(623-76-7)IR2
1,3-Diethylurea(623-76-7)IR3
1,3-Diethylurea(623-76-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

N,N'-Diethylurea, 97%(623-76-7)
[Sigma Aldrich]

623-76-7(sigmaaldrich)
[TCI AMERICA]

1,3-Diethylurea,>97.0%(T)(623-76-7)
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