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InChI
1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i1D,2D,3D,4D,5D
SMILES string
[H]C(=O)c1c([2H])c([2H])c([2H])c([2H])c1[2H]
InChI key
HUMNYLRZRPPJDN-RALIUCGRSA-N
isotopic purity
99 atom % D
assay
99% (CP)
refractive index
n20/D 1.545 (lit.)
bp
178-179 °C (lit.)
mp
−26 °C (lit.)
density
1.094 g/mL at 25 °C
mass shift
M+5
Related Categories
Packaging
signalword
Danger
Hazard Classifications
Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Repr. 1B - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 1
flash_point_f
147.2 °F - closed cup
flash_point_c
64.00 °C - closed cup
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