CAS RN: 1478-61-1
2,2-Bis(4-hydroxyphenyl)hexafluoropropane
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
- Product code: SSC-058319
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 25g, 10g, 100g
- Available purity: >97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1478-61-1 / 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol
Basic Information
CAS
1478-61-1
Multi CAS
No
Molecular Formula
C15H10F6O2
Molecular Weight
336.230000
Exact Mass
336.058499
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)O)(C(F)(F)F)C(F)(F)F)O
InChI
InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H
InChIKey
ZFVMWEVVKGLCIJ-UHFFFAOYSA-N
Physical Properties
Melting Point
159- 162 °C
Boiling Point
400 °C[NTP; Chemical Information Profile for Bisphenol AF
Density
1.447 gm/cu cm[NTP; Chemical Information Profile for Bisphenol AF
Physical Description
Dry Powder, Other Solid; Dry Powder
Appearance
White to light gray powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
69.1
TPSA
40.46
LogP / Solubility
WLOGP
4.51
MLOGP
3.98
XLogP3
4.5
Consensus LogP
4.33
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Health Hazard
Corrosive
Irritant
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H360F: May damage fertility [Danger Reproductive toxicity]
H315 (56%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (42.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H319 (57.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (33%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P203, P280, P318, P405, and P501
P203, P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
P203, P260, P261, P264+P265, P271, P273, P280, P304+P340, P305+P354+P338, P317, P318, P319, P391, P403+P233, P405, and P501
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