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Pentafluoroanisole

Pentafluoroanisole structure

CAS No:
389-40-2
Formula:
C7H3F5O
Chemical Name:
Pentafluoroanisole
Synonyms:
Benzene,1,2,3,4,5-pentafluoro-6-methoxy-;Anisole,2,3,4,5,6-pentafluoro-;Benzene,pentafluoromethoxy-;1,2,3,4,5-Pentafluoro-6-methoxybenzene;2,3,4,5,6-Pentafluoroanisole;Pentafluoroanisole;Methyl pentafluorophenyl ether;Pentafluorophenyl methyl ether;Methoxypentafluorobenzene;NSC 21631
Categories:
Organic Chemistry > Coordination Complexes

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Description

CLEAR COLOURLESS LIQUID

Pentafluoroanisole Basic Attributes

Molecular Weight：

198.09000

Exact Mass：

198.09

EC Number：

206-866-8

UNII：

6MCA96C92G

NSC Number：

21631

DSSTox ID：

DTXSID2059938

HScode：

2909309090

Characteristics

PSA：

9.23000

XLogP3：

2.39070

Density：

1.4960 g/cm³ @ Temp: 20 °C

Melting Point：

-37 °C

Boiling Point：

138.5 °C

Flash Point：

90 °F

Refractive Index：

n20/D 1.409(lit.)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

R10

safety instructions：

S16-S29-S33

Marks：

F: Flammable;

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

Pentafluoroanisole Use and Manufacturing

Manufacturing Info：

Benzene, 1,2,3,4,5-pentafluoro-6-methoxy-: INACTIVE

Computed Properties

Molecular Weight:198.09
XLogP3:2.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:198.01040553
Monoisotopic Mass:198.01040553
Topological Polar Surface Area:9.2
Heavy Atom Count:13
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 389-40-2

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