Tetrabromobisphenol A diglycidyl ether

CAT: 0024-sc-338706Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-338706Size:1 g

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CAS Number

3072-84-2

Chemical Information

tetrabromobisphenol A diglycidyl ether

used to provide products with fire-resistant properties; MW 656; structure given in first source

CAS Number	3072-84-2
PubChem CID	62250
IUPAC Name	2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
Molecular Formula	C21H20Br4O4
Molecular Weight	656.0
XLogP	6.8
Topological Polar Surface Area	43.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	29
Formal Charge	0
Complexity	495

SMILES

CC(C)(C1=CC(=C(C(=C1)Br)OCC2CO2)Br)C3=CC(=C(C(=C3)Br)OCC4CO4)Br

InChI

InChI=1S/C21H20Br4O4/c1-21(2,11-3-15(22)19(16(23)4-11)28-9-13-7-26-13)12-5-17(24)20(18(25)6-12)29-10-14-8-27-14/h3-6,13-14H,7-10H2,1-2H3

InChIKey

ZJRAAAWYHORFHN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3072-84-2

CID: 62250

Formula: C21H20Br4O4

MW: 656.0

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	656.0
XLogP3	6.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	655.80541
Monoisotopic Mass	651.80951
Topological Polar Surface Area	43.5 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	495
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-473032	Tetrabromobisphenol A Dimethyl Ether
sc-473992	Tetrabromobisphenol S Dimethyl Ether
sc-272285	Resorcinol diglycidyl ether
sc-486434	Ethylene Glycol Diglycidyl Ether
sc-486434A	Ethylene Glycol Diglycidyl Ether
sc-474292	Tetrabromobisphenol S Dimethyl Ether-d6
sc-488289	Neopentyl Glycol Diglycidyl Ether
sc-476090A	Tetrabromobisphenol A Bis (2-hydroxyethyl) Ether
sc-476090	Tetrabromobisphenol A Bis (2-hydroxyethyl) Ether
sc-488306E	1,4-Butanediol diglycidyl ether

Catalog	Name
467274-01	Tetrabromobisphenol A Diglycidyl Ether
HY-W769527	Tetrabromobisphenol A Diglycidyl Ether-d10
TRC-D443820-1G	Diglycidyl Ether
166743	Tetrabromobisphenol A Dimethyl Ether
OR1040847-01	Tetrabromobisphenol A-dimethyl ether
467273-01	Tetrabromobisphenol A Allyl Ether
TRC-B519500-25G	Bisphenol A Diglycidyl Ether
446940-01	Diglycidyl Resorcinol Ether
OR1088606-01	Hydroquinone diglycidyl ether
AR-I04136-01	Isosorbide Diglycidyl Ether