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tert-Butyl phenyl carbonate

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Name

tert-Butyl phenyl carbonate

EINECS 229-601-8
CAS No. 6627-89-0 Density 1.061 g/cm3
PSA 35.53000 LogP 3.00050
Solubility Slightly soluble in water. Melting Point N/A
Formula C11H14O3 Boiling Point 259.8 °C at 760 mmHg
Molecular Weight 194.23 Flash Point 97 °C
Transport Information N/A Appearance N/A
Safety 23-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 6627-89-0 (tert-Butyl phenyl carbonate) Hazard Symbols N/A
Synonyms

Carbonicacid, tert-butyl phenyl ester (6CI);1-tert-Butoxycarbonyloxybenzene;NSC60248;Phenyl tert-butyl carbonate;Phenyl tert-butyl carbonate;

Article Data 22

tert-Butyl phenyl carbonate Specification

The tert-Butyl phenyl carbonate with its cas register number is 6627-89-0. It also can be called as Carbonic acid,1,1-dimethylethyl phenyl ester and the IUPAC Name about this chemical is tert-butyl phenyl carbonate. It belongs to the following product categories, such as Carbonates, Carbonyl Compounds, Organic Building Blocks and so on. When you are using it, please not breathe vapour and avoid contact with skin and eyes.

Physical properties about tert-Butyl phenyl carbonate are: (1)ACD/LogP: 2.72; (2)ACD/LogD (pH 5.5): 2.72; (3)ACD/LogD (pH 7.4): 2.72; (4)ACD/BCF (pH 5.5): 68.81; (5)ACD/BCF (pH 7.4): 68.81; (6)ACD/KOC (pH 5.5): 719.47; (7)ACD/KOC (pH 7.4): 719.47; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 35.53Å2; (11)Index of Refraction: 1.493; (12)Molar Refractivity: 53.2 cm3; (13)Molar Volume: 182.9 cm3; (14)Polarizability: 21.09x10-24cm3; (15)Surface Tension: 34.3 dyne/cm; (16)Enthalpy of Vaporization: 49.75 kJ/mol; (17)Vapour Pressure: 0.0127 mmHg at 25°C.

Uses of tert-Butyl phenyl carbonate: it can be used to produce hydrazinecarboxylic acid tert-butyl ester. It will need reagent hydrazine hydrate.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)OC1=CC=CC=C1
(2)InChI: InChI=1S/C11H14O3/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9/h4-8H,1-3H3 
(3)InChIKey: UXWVQHXKKOGTSY-UHFFFAOYSA-N

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