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About This Item
Linear Formula:
C6H513CD2OH
CAS Number:
Molecular Weight:
110.15
MDL number:
NACRES:
NA.12
PubChem Substance ID:
UNSPSC Code:
12352101
Isotopic purity:
99 atom % 13C, 98 atom % D
Mass shift:
M+3
InChI
1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2/i6+1D2
SMILES string
[2H][13C]([2H])(O)c1ccccc1
InChI key
WVDDGKGOMKODPV-OCAPALNOSA-N
isotopic purity
99 atom % 13C, 98 atom % D
refractive index
n20/D 1.54 (lit.)
bp
203-205 °C (lit.)
mp
-16--13 °C (lit.)
density
1.074 g/mL at 25 °C
mass shift
M+3
Quality Level
Related Categories
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
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Warning
hcodes
Hazard Classifications
Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2
Storage Class
10 - Combustible liquids
wgk
WGK 1
flash_point_f
204.8 °F - closed cup
flash_point_c
96.00 °C - closed cup
Regulatory Information
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