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NONABROMODIPHENYLETHER

NONABROMODIPHENYLETHER structure

CAS No:
63387-28-0
Formula:
C12HBr9O
Chemical Name:
NONABROMODIPHENYLETHER
Synonyms:
2,2μ,3,3μ,4,4μ,5,5μ,6-NonaBDE,PBDE206,2,2μ,3,3μ,4,4μ,5,5μ,6-Nonabromodiphenylethersolution;BDENo206solution;(2,3,4,5-Tetrabromophenyl)(pentabromophenyl) ether;2,3,4,5-Tetrabromophenyl(pentabromophenyl) ether;2,2',3,3',4',5,5',6-Nonabromodiphenyl ether;1,2,3,4,5-Pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene
Categories:
Analytical Chemistry > Standard

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NONABROMODIPHENYLETHER Basic Attributes

Molecular Weight：

880.28

Exact Mass：

871.26800

EC Number：

208-759-1

UNII：

2O56GK0P1R

DSSTox ID：

DTXSID3024233

HScode：

2909309090

Characteristics

PSA：

9.23000

XLogP3：

10.34140

Flash Point：

-12 °C

Storage Conditions：

2-8°C

Collision Cross Section：

202.1 Å² [M-Br+O]-

Safety Information

Transport codes：

UN12623/PG2

wgk germany：

hazard class code：

11-38-50/53-65-67

safety instructions：

60-61-62-33-29-16-9

Marks：

F,Xn,N

Precautionary statement(s)：

P210-P261-P273-P301 + P310-P331-P501

Hazard Statements：

H225-H304-H315-H336-H410

Toxicity

Bioconcentration：

2.75e+05

Drug Information

MeSH Entry Terms：

2,2',3,3',4,4',5,5',6-nonabromodiphenyl ether

NONABROMODIPHENYLETHER Use and Manufacturing

Uses

1,2,3,4,5-Pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene is a polybrominated diphenyl ethers (PBDEs) found as a contaminant in soil.

Manufacturing Info：

Benzene, 1,2,3,4,5-pentabromo-6-(tetrabromophenoxy)-: ACTIVE|S - indicates a substance that is identified in a final Significant New Use Rule.

Computed Properties

Molecular Weight:880.3
XLogP3:9.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:879.25958
Monoisotopic Mass:871.26778
Topological Polar Surface Area:9.2
Heavy Atom Count:22
Complexity:370
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes