Tetrabromobisphenol A Bis (2-Hydroxyethyl) Ether

CAT: 0127-OR1029922-01Size: 5 gDry Ice: NoHazardous: No

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CAS Number

4162-45-2

Synonyms

2-[2,6-dibromo-4-[2-[3,5-dibromo-4- (2-hydroxyethoxy) phenyl]propan-2-yl]phenoxy]ethanol

Purity

93%

Smiles

CC (C) (C1=CC (=C (C (=C1) Br) OCCO) Br) C2=CC (=C (C (=C2) Br) OCCO) Br

Chemical Information

2,2-Bis(3,5-dibromo-4-(2-hydroxyethoxy)phenyl)propane

CAS Number	4162-45-2
PubChem CID	20113
IUPAC Name	2-[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
Molecular Formula	C19H20Br4O4
Molecular Weight	632.0
XLogP	6.1
Topological Polar Surface Area	58.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	27
Formal Charge	0
Complexity	391

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

InChIKey

RVHUMFJSCJBNGS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4162-45-2

CID: 20113

Formula: C19H20Br4O4

MW: 632.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	632.0
XLogP3	6.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	631.80541
Monoisotopic Mass	627.80951
Topological Polar Surface Area	58.9 Å²
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

Catalog	Name
OR52632-01	Hydroquinone bis (2-hydroxyethyl) ether
OR1040847-01	Tetrabromobisphenol A-dimethyl ether
PC5131-01	2-Hydroxyethyl trifluoromethyl ether
OR1078960-01	2,2'-Bis (hydroxymethyl) diphenyl Ether
OR1059170-01	Bis (2-hydroxyethyl) adipate
OR1023574-01	Bis (2-Hydroxyethyl) Terephthalate
OR40730	Bis (2-hydroxyethyl) amine
OR1012422-01	Bis (2-Hydroxyethyl) Disulfide
OR1039044-01	Bis (2-hydroxyethyl) phthalate
OR18271-01	Bis (2-iodoethyl) ether

Catalog	Name
sc-476090A	Tetrabromobisphenol A Bis (2-hydroxyethyl) Ether
166743	Tetrabromobisphenol A Dimethyl Ether
467274-01	Tetrabromobisphenol A Diglycidyl Ether
467273-01	Tetrabromobisphenol A Allyl Ether
sc-473992	Tetrabromobisphenol S Dimethyl Ether
H11860-01	2-Hydroxyethyl ether
467280	Tetrabromobisphenol S Dimethyl Ether-d6
HY-W769527	Tetrabromobisphenol A Diglycidyl Ether-d10
A14653-01	Allyl 2-hydroxyethyl ether
TRC-B398130-250MG	Bisphenol A Bis(2-hydroxyethyl) Ether