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| CAS No.: | 2214-72-4 |
|---|---|
| Name: | N,N'-bis-(2-Chloroethyl)urea |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C5H10Cl2N2O |
| Molecular Weight: | 185.053 |
| Synonyms: | Urea,1,3-bis(2-chloroethyl)- (6CI,7CI,8CI);1,3-Bis(2-chloroethyl)urea;NSC 36198; |
| Density: | 1.245 g/cm3 |
| Melting Point: | 128-129 °C |
| Boiling Point: | 358.2 °C at 760 mmHg |
| Flash Point: | 170.4 °C |
| PSA: | 41.13000 |
| LogP: | 1.54500 |
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| Conditions | Yield |
|---|---|
| With potassium carbonate In tetrahydrofuran at 40℃; for 4h; Reagent/catalyst; Time; Temperature; | 87.2% |
| Conditions | Yield |
|---|---|
| In dichloromethane 1) 0 deg C, 20 min; 2) room temperature, 18 h; | 82% |
| In diethyl ether Ambient temperature; |
- 74124-79-1
di(succinimido) carbonate
- 870-24-6
2-chloroethanamine hydrochloride
A
- 2214-72-4
1,3-bis(2-chloroethyl)urea
B
- 80354-45-6
N-(2-chloroethyl)carbamic acid N'-hydroxysuccinimide ester
| Conditions | Yield |
|---|---|
| With triethylamine In acetonitrile Ambient temperature; | A n/a B 61.5% |
- 870-24-6
2-chloroethanamine hydrochloride
- 530-62-1
1,1'-carbonyldiimidazole
- 2214-72-4
1,3-bis(2-chloroethyl)urea
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 0 - 45℃; pH=8; | 57.7% |
| In tetrahydrofuran at 0 - 30℃; for 36.0833h; Temperature; Inert atmosphere; Large scale; | 6 kg |
| With triethylamine at 10 - 40℃; for 2h; | 13 g |
| Conditions | Yield |
|---|---|
| With water; acetone | |
| With water | |
| With nitromethane; acetone; acetonitrile In N,N-dimethyl-formamide |
- 154-93-8
1,3-bis(2-chloroethyl)-1-nitrosourea
A
- 2214-72-4
1,3-bis(2-chloroethyl)urea
B
- 71353-16-7
2-<(2-chloroethyl)amino>-2-oxazoline
C
- 2387-20-4
1-(2-chloroethyl)imidazolidin-2-one
D
- 64-17-5
ethanol
E
- 75-04-7
ethylamine
| Conditions | Yield |
|---|---|
| With potassium hydroxide; aluminum nickel In methanol Product distribution; Mechanism; degradation under various conditions (HBr in glac. CH3CO2H) with preparation of nonmutagenic reaction mixtures of products; |
- 15438-70-7
N,N'-bis(2-hydroxyethyl)urea
- 2214-72-4
1,3-bis(2-chloroethyl)urea
| Conditions | Yield |
|---|---|
| With thionyl chloride at 20℃; Large scale; | 5.02 kg |
| Conditions | Yield |
|---|---|
| With tin(IV) chloride; sodium nitrite In dichloromethane at 20℃; for 2h; | 100% |
| With formic acid; sodium nitrite In dichloromethane; water at 0 - 3℃; for 1h; | 87% |
| With formic acid; sodium nitrite |
- 2214-72-4
1,3-bis(2-chloroethyl)urea
- 71353-16-7
2-<(2-chloroethyl)amino>-2-oxazoline
| Conditions | Yield |
|---|---|
| In water Heating; | 72% |
- Total:29 Page 1 of 1 1
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Specification
The N,N'-Bis(2-chloroethyl)urea is an organic compound with the formula C5H10Cl2N2O. The IUPAC name of this chemical is 1,3-bis(2-chloroethyl)urea. With the CAS registry number 2214-72-4, it is also named as urea, N,N'-bis(2-chloroethyl)-.
Physical properties about N,N'-Bis(2-chloroethyl)urea are: (1)CD/LogP: 0.76; (2)ACD/LogD (pH 5.5): 0.75; (3)ACD/LogD (pH 7.4): 0.75; (4)ACD/BCF (pH 5.5): 2.21; (5)ACD/BCF (pH 7.4): 2.21; (6)ACD/KOC (pH 5.5): 61.33; (7)ACD/KOC (pH 7.4): 61.33; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 23.55 Å2; (12)Index of Refraction: 1.478; (13)Molar Refractivity: 42.13 cm3; (14)Molar Volume: 148.5 cm3; (15)Polarizability: 16.7×10-24cm3; (16)Surface Tension: 38 dyne/cm; (17)Density: 1.245 g/cm3; (18)Flash Point: 170.4 °C; (19)Enthalpy of Vaporization: 60.36 kJ/mol; (20)Boiling Point: 358.2 °C at 760 mmHg; (21)Vapour Pressure: 2.59E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCCNC(=O)NCCCl
(2)InChI: InChI=1/C5H10Cl2N2O/c6-1-3-8-5(10)9-4-2-7/h1-4H2,(H2,8,9,10)
(3)InChIKey: VBWBRZHAGLZNST-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C5H10Cl2N2O/c6-1-3-8-5(10)9-4-2-7/h1-4H2,(H2,8,9,10)
(5)Std. InChIKey: VBWBRZHAGLZNST-UHFFFAOYSA-N