CAS 1163-19-5|DecaBDE|Decabromodiphenyl ether|decabromodiphenyl ether|BDE-209|1,2,3,4,5-pentabromo-6-pentabromophenoxybenzene|Deca-BDE|Decabromodiphenyl ether|Bis(pentabromophenyl) ether|十溴二苯醚|...

General Information

Structure

Molecular Formula

C₁₂Br₁₀O

Molecular Mass

959.1678

Exact Mass

949.17828462

Charge

InChI

InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22

InChIKey

WHHGLZMJPXIBIX-UHFFFAOYSA-N

Canonic Smiles

Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br

Isomeric Smiles

O(c1c(c(c(c(c1Br)Br)Br)Br)Br)c1c(c(c(c(c1Br)Br)Br)Br)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

11.161059

LogD (pH = 7.4)

11.161059

Log P

11.161059

Molar Refractivity

128.5268

Polarizability

52.07465

Polar Surface Area

9.23

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

Synonyms

DecaBDEDecabromodiphenyl etherBDE-209Deca-BDEDecabromodiphenyl etherBis(pentabromophenyl) ether十溴二苯醚五溴苯基醚Pentabromophenyl etherDecabromodiphenyl etherDecabromodiphenyl ether solution十溴联苯醚溶液十溴二苯醚Decabromodiphenyl oxideBDE No 209 溶液BDE No 209 solutionBis(pentabromophenyl) ether双(五溴苯基)醚6,6'-Oxybis(1,2,3,4,5-pentabromobenzene)

IUPAC Traditional name

decabromodiphenyl ether

IUPAC name

1,2,3,4,5-pentabromo-6-pentabromophenoxybenzene

Names and Identifiers

Registration numbers

KEGG ID

C19383

Chemspider ID

13764

Wikipedia Title

Decabromodiphenyl_ether