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| CAS No.: | 622-46-8 |
|---|---|
| Name: | Phenyl carbamate |
| Article Data: | 56 |
| Molecular Structure: | |
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| Formula: | C7H7NO2 |
| Molecular Weight: | 137.138 |
| Synonyms: | O-Phenyl carbamate;NSC 66509; |
| EINECS: | 210-737-1 |
| Density: | 1.2 g/cm3 |
| Melting Point: | 149-152 °C(lit.) |
| Boiling Point: | 278.9 °C at 760 mmHg |
| Flash Point: | 159.3 °C |
| Solubility: | Soluble in water. |
| Appearance: | white to very slightly pink crystalline flakes |
| Safety: | 24/25 |
| PSA: | 52.32000 |
| LogP: | 1.84440 |
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Specification
The Phenyl carbamate, with the CAS registry number 622-46-8, is also known as Carbamic acid, phenyl ester. It belongs to the product categories of Nitrogen Compounds; Organic Building Blocks; Protected Amines. Its EINECS registry number is 210-737-1. This chemical's molecular formula is C7H7NO2 and molecular weight is 137.13598. Its IUPAC name is called phenyl carbamate. When you are using this chemical, please be cautious about it. You must avoid contacting it with skin and eyes. The product should be sealed and stored in cool and dry place. What's more, it should be protected from strong oxides.
Physical properties of Phenyl carbamate: (1)ACD/LogP: 1.08; (2)ACD/LogD (pH 5.5): 1.08; (3)ACD/LogD (pH 7.4): 1.08; (4)ACD/BCF (pH 5.5): 3.9; (5)ACD/BCF (pH 7.4): 3.9; (6)ACD/KOC (pH 5.5): 92.16; (7)ACD/KOC (pH 7.4): 92.15; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.551; (12)Molar Refractivity: 36.49 cm3; (13)Molar Volume: 114.2 cm3; (14)Surface Tension: 46.3 dyne/cm; (15)Density: 1.2 g/cm3; (16)Flash Point: 159.3 °C; (17)Enthalpy of Vaporization: 51.75 kJ/mol; (18)Boiling Point: 278.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00416 mmHg at 25°C.
Preparation of Phenyl carbamate: this chemical can be prepared by phenol and hydrocyanic acid; sodium salt. This reaction will need reagent CF3CO2H and solvent diethyl ether.
Uses of Phenyl carbamate: it can be used to produce benzyl-carbamic acid phenyl ester at temperature of 22 °C. This reaction will need reagents Et3SiH, TFA and solvent acetonitrile with reaction time of 18 hours. The yield is about 90%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)OC(=O)N
(2)InChI: InChI=1S/C7H7NO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H2,8,9)
(3)InChIKey: BSCCSDNZEIHXOK-UHFFFAOYSA-N