Cyanic acid,C,C'-[methylenebis(2,6-dimethyl-4,1-phenylene)] ester (101657-77-6)

The IUPAC name of 4,4'-Methylenebis(2,6-dimethylphenylcyanate) is [4-[(4-cyanato-3,5-dimethylphenyl)methyl]-2,6-dimethylphenyl] cyanate. With the CAS registry number 101657-77-6, it is also named as Cyanic acid methylenebis(2,6-dimethyl-4,1-phenylene) ester. The product's classification code is TSCA flag P, and other registry numbers are 121889-90-5, 126625-37-4, 126851-15-8, 126851-16-9, 142985-31-7 and 143928-02-3 . In addition, its molecular formula is C₁₉H₁₈N₂O₂ and its molecular weight is 306.36. Besides, it is a free flowing powder. This cyanate ester monomer is soluble in methyl ethyl ketone, acetone and other prepreg solvents. 

The other characteristics of 4,4'-Methylenebis(2,6-dimethylphenylcyanate) can be summarized as: (1)ACD/LogP: 5.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.36; (4)ACD/LogD (pH 7.4): 5.36; (5)ACD/BCF (pH 5.5): 6998.05; (6)ACD/BCF (pH 7.4): 6998.05; (7)ACD/KOC (pH 5.5): 19670.96; (8)ACD/KOC (pH 7.4): 19670.96; (9)H bond acceptors: 4; (10)H bond donors: 0; (11)Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.04 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 88.05 cm³; (15)Molar Volume: 268.7 cm³; (16)Polarizability: 34.9×10^-24cm³; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 162.5 °C; (20)Melting point: 105 °C; (21)Enthalpy of Vaporization: 68.96 kJ/mol; (22)Boiling Point: 433.6 °C at 760 mmHg; (23)Vapour Pressure: 1.01E-07 mmHg at 25 °C; (24)EINECS: 405-790-4.

When you are using this chemical, please be cautious about it as the following: 4,4'-Methylenebis(2,6-dimethylphenylcyanate) may cause sensitization by inhalation, it is also harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you use it, please wear suitable gloves, do not breathe dust, and avoid contact with skin. Moreover, please avoid release to the environment and refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
(1)SMILES:N#COc1c(cc(cc1C)Cc2cc(c(OC#N)c(c2)C)C)C
(2)InChI:InChI=1/C19H18N2O2/c1-12-5-16(6-13(2)18(12)22-10-20)9-17-7-14(3)19(23-11-21)15(4)8-17/h5-8H,9H2,1-4H3
(3)InChIKey:JNCRKOQSRHDNIO-UHFFFAOYAY
(4)Std. InChI:InChI=1S/C19H18N2O2/c1-12-5-16(6-13(2)18(12)22-10-20)9-17-7-14(3)19(23-11-21)15(4)8-17/h5-8H,9H2,1-4H3
(5)Std. InChIKey:JNCRKOQSRHDNIO-UHFFFAOYSA-N