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BDE 153

BDE 153 structure

CAS No:
68631-49-2
Formula:
C12H4Br6O
Chemical Name:
BDE 153
Synonyms:
Benzene,1,1′-oxybis[2,4,5-tribromo-;1,1′-Oxybis[2,4,5-tribromobenzene];2,2′,4,4′,5,5′-Hexabromodiphenyl ether;BDE 153;PBDE 153
Categories:
Analytical Chemistry > Standard

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Description

Solid

2,2',4,4',5,5'-Hexabromodiphenyl ether is an organobromine compound and an aromatic ether.

BDE 153 Basic Attributes

Molecular Weight：

643.58356

Exact Mass：

643.58

EC Number：

208-759-1

UNII：

NX58WCQ511

DSSTox ID：

DTXSID4030047

Characteristics

PSA：

9.2

XLogP3：

8.05390

Density：

2.502g/cm3

Melting Point：

157.6 °C

Boiling Point：

453 °C

Flash Point：

-12 °C

Refractive Index：

1.695

Storage Conditions：

2-8°C

Collision Cross Section：

182.9 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：

1.35e+06

Drug Information

MeSH Entry Terms：

2,2',4,4',5,5'-hexaBDE|2,2',4,4',5,5'-brominated diphenyl ether

Computed Properties

Molecular Weight:643.6
XLogP3:7.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:643.53009
Monoisotopic Mass:637.53624
Topological Polar Surface Area:9.2
Heavy Atom Count:19
Complexity:276
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,2',4,4',5,5'-HEXABROMODIPHENYL ETHE 68631-49-2 C12H4Br6O

CAS No.: 68631-49-2

Grade: Pharmaceutical raw materials

Content: 98%

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