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BDE 49

BDE 49 structure

CAS No:
243982-82-3
Formula:
C12H6Br4O
Chemical Name:
BDE 49
Synonyms:
Benzene,1,4-dibromo-2-(2,4-dibromophenoxy)-;1,4-Dibromo-2-(2,4-dibromophenoxy)benzene;BDE 49;PBDE 49;2,2′,4,5′-Tetrabromodiphenyl ether
Categories:
Analytical Chemistry > Standard

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Description

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

BDE 49 Basic Attributes

Molecular Weight：

485.79144

Exact Mass：

485.79

EC Number：

208-759-1

UNII：

D24364111Z

Characteristics

PSA：

9.2

XLogP3：

7.47

Density：

2.2±0.1 g/cm3

Boiling Point：

397.0±42.0 °C at 760 mmHg

Flash Point：

-12 °C

Refractive Index：

1.665

Storage Conditions：

2-8°C

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

Drug Information

MeSH Entry Terms：

2,2',4,5'-tetrabromodiphenyl ether

Computed Properties

Molecular Weight:485.79
XLogP3:6.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:485.71112
Monoisotopic Mass:481.71522
Topological Polar Surface Area:9.2
Heavy Atom Count:17
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes