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4,4'-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol]

4,4'-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol]

Inquiry

Molecular Formula:

C19H20Br4O4

Molecular Weight:

631.98

CAS Number:

4162-45-2

Catalog Number:

4162-45-2

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

Canonical 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

582.1ºC at 760mmHg

Melting Point

108-114ºC

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.

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].

Computed Properties

XLogP3

6.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

631.80541 g/mol

Monoisotopic Mass

627.80951 g/mol

Topological Polar Surface Area

58.9Å²

Heavy Atom Count

Formal Charge

Complexity

391

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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