2,2',3,4,4',5'-HexaBDE

CAT: 0024-sc-225585Size: 1 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-225585Size:1 mL

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CAS Number

182677-30-1

Chemical Information

2,2',3,4,4',5'-Hexabromodiphenyl Ether

CAS Number	182677-30-1
PubChem CID	15254861
IUPAC Name	1,2,3-tribromo-4-(2,4,5-tribromophenoxy)benzene
Molecular Formula	C12H4Br6O
Molecular Weight	643.6
XLogP	7.6
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	304

SMILES

C1=CC(=C(C(=C1OC2=CC(=C(C=C2Br)Br)Br)Br)Br)Br

InChI

InChI=1S/C12H4Br6O/c13-5-1-2-9(12(18)11(5)17)19-10-4-7(15)6(14)3-8(10)16/h1-4H

InChIKey

IZFQCEZFGCMHOM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 182677-30-1

CID: 15254861

Formula: C12H4Br6O

MW: 643.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	643.6
XLogP3	7.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	643.53009
Monoisotopic Mass	637.53624
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	304
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
sc-478164A	2,2',3,3',4,4',5,5',6-Nonabromobiphenyl
sc-478164	2,2',3,3',4,4',5,5',6-Nonabromobiphenyl
sc-229027	Pyrrolidine-2,2,3,3,4,4,5,5-d8
sc-290848	5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl chloride
sc-282601	2- (3,4,5-Trifluorobenzene) -4,4,5,5-tetramethyl-1,3,2-dioxaborolane
sc-282601A	2- (3,4,5-Trifluorobenzene) -4,4,5,5-tetramethyl-1,3,2-dioxaborolane
sc-488375	2,3,3',4,4',5'-Hexahydroxybenzophenone
sc-326133	Allyl 2,2,3,3,4,4,5,5-octafluoropentyl ether
sc-228731	N-Methylpyrrolidine-2,2,3,3,4,4,5,5-d8
sc-230739	2,2,3,3,4,4,5,5-Octafluoro-1-pentanol

Catalog	Name
SCA88900-01	2,2',3,3',4,4',5,5'-Octabromobiphenyl
PC32203	2,2,3,3,4,4,5,5-Octafluoropentanenitrile
PC31382	2,2,3,3,4,4,5,5-Octafluoropentanamide
PC99181-01	2,2,3,3,4,4,5,5-Octafluorohexanediimidamide
PC8549	2,2,3,3,4,4,5,5-Octafluorohexanediamide
TRC-H265060-250MG	2,2',3,4,4',5,5'-Heptachlorobiphenyl
AR-B07325-01	2,2',3,4,4',5,5'-heptabromobiphenyl
PC450347	2,2,3,3,4,4,4-Heptafluorobutyl 4,4,5,5,5-pentafluoropentyl carbonate
420364-01	2,4,5,2',3',4'-Hexachlorobiphenyl
419533-01	2,2',3,4,4',5-Hexachlorobiphenyl