Product Name

  • Name

    BISPHENOL A-D16

  • EINECS
  • CAS No. 96210-87-6
  • Density 1.224 g/cm3
  • Solubility
  • Melting Point 157-159 °C(lit.)
  • Formula C15D16O2
  • Boiling Point 400.8 °C at 760 mmHg
  • Molecular Weight 244.38
  • Flash Point 192.4 °C
  • Transport Information
  • Appearance
  • Safety 26-36-46-36/37/39
  • Risk Codes 36/37/38-41-62-43-37
  • Molecular Structure Molecular Structure of 96210-87-6 (BISPHENOL A-D16)
  • Hazard Symbols IrritantXi, HarmfulXn
  • Synonyms BisphenolA-d16;
  • PSA 40.46000
  • LogP 3.42370

Phen-2,3,5,6-d4-ol-d,4,4'-[1-(methyl-d3)ethylidene-2,2,2-d3]bis- Specification

The Phen-2,3,5,6-d4-ol-d,4,4'-[1-(methyl-d3)ethylidene-2,2,2-d3]bis- is an organic compound with the formula C15D16O2. The systematic name of this chemical is 4,4'-(2H6)propane-2,2-diyldi(2H5)phenol. With the CAS registry number 96210-87-6, it is also named as Bisphenol A-d16. 

The other characteristics of Phen-2,3,5,6-d4-ol-d,4,4'-[1-(methyl-d3)ethylidene-2,2,2-d3]bis- can be summarized as: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 238.64; (6)ACD/BCF (pH 7.4): 237.55; (7)ACD/KOC (pH 5.5): 1752.23; (8)ACD/KOC (pH 7.4): 1744.19; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 68.16 cm3; (15)Molar Volume: 199.5 cm3; (16)Polarizability: 27.02×10-24 cm3; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 192.4 °C; (20)Enthalpy of Vaporization: 67.72 kJ/mol; (21)Boiling Point: 400.8 °C at 760 mmHg; (22)Vapour Pressure: 5.34E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is not only irritating to eyes, respiratory system and skin, but also has risk risk to impaired fertility. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. If swallowed, seek medical advice immediately and show this container or label.

People can use the following data to convert to the molecule structure. 
1. SMILES:[2H]c1c([2H])c(c([2H])c([2H])c1O[2H])C(c2c([2H])c([2H])c(O[2H])c([2H])c2[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
2. InChI:InChI=1/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D,8D,9D,10D/hD2 
3. InChIKey:IISBACLAFKSPIT-MAJJRYNQEY

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View