4,4'-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol]
Product Information
Molecular Formula
C19H20Br4O4
Molecular Weight
631.98
Description
4,4'-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol] is a bioactive compound that prevents cancer cell proliferation and has antifungal activity.
Synonyms
4,4'-ISOPROPYLIDENEBIS[2-(2,6-DIBROMOPHENOXY)ETHANOL]; 2,2-BIS[3,5-DIBROMO-4-(2-HYDROXYETHOXY)PHENYL]PROPANE; LABOTEST-BB LT00159661; TETRABROMOBISPHENOL A BIS(2-HYDROXYETHYL) ETHER; O,O-BIS(2-HYDROXYETHYL)TETRABROMOBISPHENOL A; 2,2'-[(1-methylethylidene)bis[
IUPAC Name
2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
SMILES
CC(C)(C1=CC(=C(C(=C1)Br)OCCO)Br)C2=CC(=C(C(=C2)Br)OCCO)Br
InChI
InChI=1S/C19H20Br4O4/c1-19(2,11-7-13(20)17(14(21)8-11)26-5-3-24)12-9-15(22)18(16(23)10-12)27-6-4-25/h7-10,24-25H,3-6H2,1-2H3
InChI Key
RVHUMFJSCJBNGS-UHFFFAOYSA-N
Boiling Point
582.1°C at 760mmHg
Melting Point
108-114°C
Purity
>93.0%(GC)
Density
1.839g/cm3
Appearance
Beige flakes.
Storage
Store in a cool, dry place. Keep container closed when not in use.
Refractive Index
1.5000 (estimate)
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
XLogP3
6.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
8
Exact Mass
631.80541 g/mol
Monoisotopic Mass
627.80951 g/mol
Topological Polar Surface Area
58.9Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
391
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2022081541-A1 | Resin composition, and communication cable and wire harness using same | 2020-09-16 |
| WO-2022050062-A1 | Polymer, coating composition, resist composition, and article | 2020-09-03 |
| WO-2022005467-A1 | Hydrophobic flow barriers | 2020-07-01 |
| WO-2022005468-A1 | Hydrophobic flow barriers | 2020-07-01 |
| CN-113583329-A | Resin composition, sheathed cable, and wire harness | 2020-05-01 |
| EP-3910023-A1 | Resin composition, sheath cable, and wire harness | 2020-05-01 |
| US-2021340364-A1 | Resin composition, sheath cable, and wire harness | 2020-05-01 |
| WO-2021154207-A1 | Inkjet compositions | 2020-01-28 |
| WO-2021131726-A1 | Polymer and coating composition containing said polymer | 2019-12-25 |
| TW-202134304-A | Polymer and coating composition containing the polymer | 2019-12-25 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 24699145 | 2014-04-02 | PBDE: structure-activity studies for the inhibition of hepatitis C virus NS3 helicase | Molecules (Basel, Switzerland) |
| 17149866 | 2006-12-14 | Identification of the brominated flame retardant 1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane as an androgen agonist | Journal of medicinal chemistry |
