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2,2',3,4,4',5'-HEXABDE

2,2',3,4,4',5'-HEXABDE structure

CAS No:
182677-30-1
Formula:
C12H4Br6O
Chemical Name:
2,2',3,4,4',5'-HEXABDE
Synonyms:
PBDE 138;BDE-138;BDE NO 138;2,2',3,4,4',5'-HEXABDE;2,2',3,4,4',5'-HEXABROMODIPHENYL ETHER;bde no 138solution;2,2μ,3,4,4μ,5μ-HexaBDE,PBDE138,2,2μ,3,4,4μ,5μ-Hexabromodiphenylethersolution;2,2',3',4,4',5-Hexabromo[1,1'-oxybisbenzene]
Categories:
Analytical Chemistry > Standard

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2,2',3,4,4',5'-HEXABDE Basic Attributes

Molecular Weight：

643.58

Exact Mass：

637.536194

EC Number：

208-759-1

UNII：

G8C1F1S4W9

Characteristics

PSA：

9.2

XLogP3：

8.82

Density：

2.502±0.06 g/cm3(Predicted)

Melting Point：

135-136 °C(Solv: ethyl ether (60-29-7))

Boiling Point：

476.1±45.0 °C(Predicted)

Flash Point：

-12 °C

Refractive Index：

1.695

Storage Conditions：

2-8°C

Collision Cross Section：

184.2 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

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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:304
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes