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Phenyl carbamate

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Name

Phenyl carbamate

EINECS 210-737-1
CAS No. 622-46-8 Density 1.2 g/cm3
PSA 52.32000 LogP 1.84440
Solubility Soluble in water. Melting Point 149-152 °C(lit.)
Formula C7H7NO2 Boiling Point 278.9 °C at 760 mmHg
Molecular Weight 137.138 Flash Point 159.3 °C
Transport Information N/A Appearance white to very slightly pink crystalline flakes
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 622-46-8 (Phenyl carbamate) Hazard Symbols N/A
Synonyms

O-Phenyl carbamate;NSC 66509;

Article Data 56

Phenyl carbamate 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.

Phenyl carbamate can be prepared by phenol and hydrocyanic acid; sodium salt

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%.

Phenyl carbamate can be used to produce benzyl-carbamic acid phenyl ester with benzaldehyde

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

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