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About This Item
Linear Formula:
C6F5OD
CAS Number:
Molecular Weight:
185.07
NACRES:
NA.21
PubChem Substance ID:
UNSPSC Code:
12142201
MDL number:
Assay:
≥99% (GC)
Technique(s):
NMR: suitable
Bp:
143 °C (lit.)
Product Name
Pentafluorophenol-OD, 98 atom % D
InChI
1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/i/hD
SMILES string
[2H]Oc1c(F)c(F)c(F)c(F)c1F
InChI key
XBNGYFFABRKICK-DYCDLGHISA-N
isotopic purity
98 atom % D
assay
≥99% (GC)
form
solid
technique(s)
NMR: suitable
bp
143 °C (lit.)
mp
34-36 °C (lit.)
mass shift
M+1
General description
Pentafluorophen(ol-d) is pentafluorophenol with the hydrogen on –OH substituted by deuterium. It is an NMR solvent.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
161.6 °F - closed cup
flash_point_c
72 °C - closed cup
Regulatory Information
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Matsusaki M, et al.
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