China (Mainland)
1,1-Bis(4-cyanatophenyl)ethane CAS NO.47073-92-7
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- Product Details
Keywords
- 47073-92-7
- 1,1-Bis(4-cyanatophenyl)ethane
Quick Details
- ProName: 1,1-Bis(4-cyanatophenyl)ethane
- CasNo: 47073-92-7
- Molecular Formula: C16H12N2O2
- Appearance: Amber liquid
- Application: intermediate
- PackAge: 25KG/drum
- Port: shanghai
- ProductionCapacity: /Day
- Purity: 98%
- Storage: storage in shady and cool warehouse
- Transportation: as the regulation of chemicals
- LimitNum: 0 Metric Ton
Superiority
1.Properties of1,1-Bis(4-cyanatophenyl)ethane
(1)ACD/LogP: 3.415 (2)# of Rule of 5 Violations: 0
(3)ACD/LogD (
Details
1.Properties of 1,1-Bis(4-cyanatophenyl)ethane
(1)ACD/LogP: 3.415 (2)# of Rule of 5 Violations: 0
(3)ACD/LogD (pH 5.5): 3.42 (4)ACD/LogD (pH 7.4): 3.42
(5)ACD/BCF (pH 5.5): 231.86 (6)ACD/BCF (pH 7.4): 231.86
(7)ACD/KOC (pH 5.5): 1716.47 (8)ACD/KOC (pH 7.4): 1716.47
(9)#H bond acceptors: 4 (10)#H bond donors: 0
(11)#Freely Rotating Bonds: 4 (12)Polar Surface Area: 66.04 ?2
(13)Index of Refraction: 1.579 (14)Molar Refractivity: 73.387 cm3
(15)Molar Volume: 220.861 cm3 (16)Polarizability: 29.093 10-24cm3
(17)Surface Tension: 49.7949981689453 dyne/cm (18)Density: 1.197 g/cm3
(19)Flash Point: 149.381 °C (20)Enthalpy of Vaporization: 63.178 kJ/mol
(21)Boiling Point: 383.262 °C at 760 mmHg
2.Structure descriptors of 1,1-Bis(4-cyanatophenyl)ethane
SMILES:N#COc1ccc(cc1)C(c2ccc(OC#N)cc2)C
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
Std. InChIKey:SIZDMAYTWUINIG-UHFFFAOYSA-N
