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1-Bromoperfluorohexane

1-Bromoperfluorohexane structure

CAS No:
335-56-8
Formula:
C6BrF13
Chemical Name:
1-Bromoperfluorohexane
Synonyms:
Hexane,1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-;Hexane,1-bromotridecafluoro-;1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane;Perfluorohexylbromide;1-Bromoperfluorohexane;n-Perfluorohexyl bromide;1-Bromotridecafluorohexane;Tridecafluorohexyl bromide
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

Colorless liquid

1-Bromoperfluorohexane Basic Attributes

Molecular Weight：

398.95

Exact Mass：

398.95

BRN：

1714896

EC Number：

206-391-6

DSSTox ID：

DTXSID80187141

HScode：

2903799090

Characteristics

PSA：

XLogP3：

5.6

Appearance：

COLORLESS LIQUID

Density：

1.871 g/mL at 25 °C(lit.)

Melting Point：

-49℃

Boiling Point：

98 °C

Flash Point：

100-101°C

Refractive Index：

n20/D 1.3(lit.)

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Drug Information

MeSH Entry Terms：

perfluorohexylbromide

1-Bromoperfluorohexane Use and Manufacturing

Uses

Employed in the preparation of perfluorononanal by hydroformylation.1,2

Use Classification：

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

Computed Properties

Molecular Weight:398.95
XLogP3:5.6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:4
Exact Mass:397.89758
Monoisotopic Mass:397.89758
Heavy Atom Count:20
Complexity:366
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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