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| CAS No.: | 538-32-9 |
|---|---|
| Name: | BENZYLUREA |
| Article Data: | 84 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H10 N2 O |
| Molecular Weight: | 150.18 |
| Synonyms: | Urea,(phenylmethyl)- (9CI); Urea, benzyl- (6CI,7CI,8CI); 1-Benzylurea;Benzylcarbamide; Benzylurea; N-Benzylurea; NSC 109103 |
| EINECS: | 208-689-1 |
| Density: | 1.138g/cm3 |
| Melting Point: |
149-151 °C(lit.) |
| Boiling Point: | 282.9°Cat760mmHg |
| Flash Point: | 124.9°C |
| Solubility: | Slightly soluble in water. |
| Appearance: | White to off-white powder |
| Safety: | Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 55.12000 |
| LogP: | 1.94610 |
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A
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B
- 538-32-9
benzylurea
| Conditions | Yield |
|---|---|
| With aniline; palladium In diethyl ether; ethanol; acetonitrile | A n/a B 99% |
| Conditions | Yield |
|---|---|
| With merrifield anchored iron(II)-anthra catalyst In 1,4-dioxane at 100℃; for 8h; Temperature; Time; | 96% |
| With choline chloride; tin(ll) chloride at 130℃; for 8h; Green chemistry; | 89% |
| With cholin chloride ZnCl2; iron oxide at 130℃; for 6h; Green chemistry; | 86% |
| Conditions | Yield |
|---|---|
| With ammonia In 1,4-dioxane | 95% |
| Conditions | Yield |
|---|---|
| With N,N,N',N'-tetramethylguanidinium acetate In water at 60℃; for 0.5h; | 91% |
| With hydrogenchloride In water at 20℃; for 6h; Solvent; Inert atmosphere; | 89% |
| With hydrogenchloride In water at 80℃; for 1h; Microwave irradiation; | 88% |
| Conditions | Yield |
|---|---|
| With zirconocene dichloride In n-heptane at 100℃; for 24h; Inert atmosphere; Sealed tube; | 87% |
| Conditions | Yield |
|---|---|
| With [bis(acetoxy)iodo]benzene; ammonia In methanol at 0 - 20℃; for 2h; Hofmann Rearrangement; Inert atmosphere; | 86% |
| Conditions | Yield |
|---|---|
| With Acetaldehyde oxime; cerium(IV) oxide In ethanol for 2h; Reflux; Inert atmosphere; | 84% |
| With [OsCl2(η6-p-cymene)(PMe2OH)]; water at 40℃; for 0.5h; Reagent/catalyst; Inert atmosphere; Sealed tube; | 74% |
| With hydrogenchloride | |
| With hydrogenchloride In ethanol; water for 3h; Reflux; Inert atmosphere; | 0.1093 g |
| Conditions | Yield |
|---|---|
| In water at 70℃; | 79% |
| In water at 70℃; for 1h; | 79% |
| Conditions | Yield |
|---|---|
| 71% | |
| Multi-step reaction with 4 steps 2: aqueous ethanol; hydrazine 3: aqueous hydrochloric acid; sodium nitrite 4: water View Scheme | |
| Multi-step reaction with 2 steps 1: diethyl ether 2: hydrochloric acid View Scheme |
- 538-32-9
benzylurea
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol for 4h; | 70% |
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Chemistry
IUPAC Name: Benzylurea
Synonyms: (Phenylmethyl)urea ; 1-Benzylurea ; Urea, N-(phenylmethyl)- ; 1-Benzylharnstoff
Product Categories: BA - BHOrganic Building Blocks;Alphabetic;B;Carbonyl Compounds;Ureas
Molecular Structure of Benzylurea (CAS NO.538-32-9) : 
Molecular Formula of Benzylurea (CAS NO.538-32-9) : C8H10N2O
Molecular Weight of Benzylurea (CAS NO.538-32-9) : 150.18
CAS NO: 538-32-9
EINECS : 208-689-1
Mol File: 538-32-9.mol
Merck : 14,1147
BRN : 2208083
Index of Refraction: 1.565
Surface Tension: 47.3 dyne/cm
Density: 1.138 g/cm3
Flash Point: 124.9 °C
Enthalpy of Vaporization: 52.18 kJ/mol
Boiling Point: 282.9 °C at 760 mmHg
Vapour Pressure: 0.00326 mmHg at 25°C
Melting point : 149-151 ºC
Appearance:white to off-white powder
Uses
Benzylurea (CAS NO.538-32-9) is used as intermediate organic synthesis.
Toxicity Data With Reference
| 1. | orl-rat LD50:4410 mg/kg | GISAAA Gigiena i Sanitariya. 44 (3)(1979),68. | ||
| 2. | orl-mus LD50:570 mg/kg | JMCMAR Journal of Medicinal Chemistry. 11 (1968),814. | ||
| 3. | orl-rat LD50:2700 mg/kg | GISAAA Gigiena i Sanitariya. 44 (3)(1979),68. |
Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
Safety Statements 24/25-22
S24/25:Avoid contact with skin and eyes.
S22:Do not breathe dust.
WGK Germany 2
RTECS YS1780000
Specification
1.General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
2.Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam .
3.Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
4.Storage: Store in a cool, dry place. Store in a tightly closed container.