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| CAS No.: | 1967-25-5 |
|---|---|
| Name: | 4-Bromophenylurea |
| Molecular Structure: | |
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| Formula: | C7H7BrN2O |
| Molecular Weight: | 215.049 |
| Synonyms: | Urea,(4-bromophenyl)- (9CI);Urea, (p-bromophenyl)- (6CI,7CI,8CI);(p-Bromophenyl)urea;1-(p-Bromophenyl)urea;4-Bromophenylurea; |
| Density: | 1.708 g/cm3 |
| Melting Point: | 225-227 °C |
| Boiling Point: | 290.9 °C at 760 mmHg |
| Flash Point: | 129.7 °C |
| Safety: | 22-24/25 |
| PSA: | 55.12000 |
| LogP: | 2.71300 |
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| Conditions | Yield |
|---|---|
| With sodium anthraquinone-2-sulfonate; trifluoroacetic acid; sodium bromide In water; acetonitrile at 20℃; for 4h; Irradiation; Sealed tube; regioselective reaction; | 93% |
| With tribromo-isocyanuric acid In acetonitrile at 25℃; regioselective reaction; | 84% |
| With chloroform; bromine | |
| With bromine; acetic acid |
| Conditions | Yield |
|---|---|
| With acetic acid In water for 0.5h; | 89% |
| With acetic acid In water at 50℃; for 2h; | 78.8% |
| In water; acetic acid at 20℃; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water for 0.25h; Heating; | 81% |
| With hydrogenchloride In water at 20℃; for 12h; Inert atmosphere; | 80% |
| With acetic acid In water for 1h; | 76.7% |
| Conditions | Yield |
|---|---|
| With [bis(acetoxy)iodo]benzene; ammonia In methanol at 0 - 20℃; for 2h; Hofmann Rearrangement; Inert atmosphere; | 73% |
- 1967-25-5
4-bromophenylurea
| Conditions | Yield |
|---|---|
| In diethyl ether; water | 50% |
| Conditions | Yield |
|---|---|
| at 140℃; | |
| at 140℃; |
- 85754-34-3
C7H6BrN3O2
- 1967-25-5
4-bromophenylurea
| Conditions | Yield |
|---|---|
| chloromethyl formate In methanol; water at 25℃; Rate constant; Thermodynamic data; μ=1.0 mol*l-1; ΔH(excit.), -ΔS(excit.); |
| Conditions | Yield |
|---|---|
| With acetic acid |
| Conditions | Yield |
|---|---|
| With acetic acid |
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Specification
The Urea,N-(4-bromophenyl)-, with the CAS registry number 1967-25-5, is also known as 1-(4-Bromophenyl)urea. This chemical's molecular formula is C7H7BrN2O and molecular weight is 215.05. What's more, its IUPAC name is called (4-Bromophenyl)urea.
Physical properties about Urea,N-(4-bromophenyl)- are: (1) ACD/LogP: 1.98; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.98; (4) ACD/LogD (pH 7.4): 1.98; (5) ACD/BCF (pH 5.5): 18.83; (6) ACD/BCF (pH 7.4): 18.83; (7) ACD/KOC (pH 5.5): 284.52; (8) ACD/KOC (pH 7.4): 284.52; (9) #H bond acceptors: 3; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 23.55 Å2; (13) Index of Refraction: 1.671; (14) Molar Refractivity: 47.11 cm3; (15) Molar Volume: 125.8 cm3; (16) Surface Tension: 60.3 dyne/cm; (17) Density: 1.708 g/cm3; (18) Flash Point: 129.7 °C; (19) Enthalpy of Vaporization: 53.02 kJ/mol; (20) Boiling Point: 290.9 °C at 760 mmHg; (21) Vapour Pressure: 0.00202 mmHg at 25 °C; (22) Melting Point: 225-227 °C.
Uses of Urea,N-(4-bromophenyl)-: it is used to produce other chemicals. For example, it is used to produce 4-(4-Bromo-phenyl)-semicarbazide. The reaction occurs with reagent NH2NH2·H2O, NaOH, solvent Ethanol and other condition of heating for 3 hours. The yield is 78 %.
When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed. In addition, you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(NC(=O)N)cc1
(2) InChI: InChI=1/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
(3) InChIKey: PFQUUCXMPUNRLA-UHFFFAOYAM