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47073-92-7

Basic Information
CAS No.: 47073-92-7
Name: 1,1-Bis(4-cyanatophenyl)ethane
Molecular Structure:
Molecular Structure of 47073-92-7 (1,1-Bis(4-cyanatophenyl)ethane)
Formula: C16H12N2O2
Molecular Weight: 264.28
Synonyms: Cyanicacid, ethylidenedi-4,1-phenylene ester (9CI);1,1-Bis(4-cyanatophenyl)ethane;AroCy L 10;AroCy L 30;BEDCy;HF 9;L 10;LECy;Primaset LeCy;
EINECS: 405-740-1
Density: 1.196 g/cm3
Melting Point:
Boiling Point: 383.3 °C at 760 mmHg
Flash Point: 149.4 °C
Solubility:
Appearance: crystalline liquid
Hazard Symbols: HarmfulXn,DangerousN
Risk Codes: 20/22-41-48/22-50/53
Safety: 26-36/37/39-60-61
Transport Information:
PSA: 66.04000
LogP: 3.55816
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Specification

The 1,1-Bis(4-cyanatophenyl)ethane is an organic compound with the formula C16H12N2O2. The systematic name of this chemical is ethane-1,1-diyldibenzene-4,1-diyl dicyanate. With the CAS registry number 47073-92-7, it is also named as Cyanic acid, ethylidenedi-4,1-phenylene ester.

Physical properties about 1,1-Bis(4-cyanatophenyl)ethane are: (1)ACD/LogP: 3.87; (2)ACD/LogD (pH 5.5): 3.87; (3)ACD/LogD (pH 7.4): 3.87; (4)ACD/BCF (pH 5.5): 513.29; (5)ACD/BCF (pH 7.4): 513.29; (6)ACD/KOC (pH 5.5): 3031.66; (7)ACD/KOC (pH 7.4): 3031.66; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 66.04 Å2; (11)Index of Refraction: 1.578; (12)Molar Refractivity: 73.38 cm3; (13)Molar Volume: 220.8 cm3; (14)Polarizability: 29.09×10-24cm3; (15)Surface Tension: 49.7 dyne/cm; (16)Density: 1.196 g/cm3; (17)Flash Point: 149.4 °C; (18)Enthalpy of Vaporization: 63.18 kJ/mol; (19)Boiling Point: 383.3 °C at 760 mmHg; (20)Vapour Pressure: 4.45E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation and if swallowed and risk of serious damage to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is danger of serious damage to health by prolonged exposure if swallowed and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, wear suitable gloves and eye/face protection. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: N#COc1ccc(cc1)C(c2ccc(OC#N)cc2)C
(2)InChI: InChI=1/C16H12N2O2/c1-12(13-2-6-15(7-3-13)19-10-17)14-4-8-16(9-5-14)20-11-18/h2-9,12H,1H3
(3)InChIKey: SIZDMAYTWUINIG-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C16H12N2O2/c1-12(13-2-6-15(7-3-13)19-10-17)14-4-8-16(9-5-14)20-11-18/h2-9,12H,1H3
(5)Std. InChIKey: SIZDMAYTWUINIG-UHFFFAOYSA-N

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