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About This Item
Linear Formula:
C6D5NCO
CAS Number:
Molecular Weight:
124.15
NACRES:
NA.12
PubChem Substance ID:
UNSPSC Code:
12352116
MDL number:
Isotopic purity:
98 atom % D
Assay:
99% (CP)
Mass shift:
M+5
isotopic purity
98 atom % D
Quality Level
assay
99% (CP)
technique(s)
protein expression: suitable
refractive index
n20/D 1.535 (lit.)
bp
162-163 °C (lit.)
mp
−30 °C (lit.)
density
1.142 g/mL at 25 °C
mass shift
M+5
SMILES string
[2H]c1c([2H])c([2H])c(N=C=O)c([2H])c1[2H]
InChI
1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H/i1D,2D,3D,4D,5D
InChI key
DGTNSSLYPYDJGL-RALIUCGRSA-N
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.
signalword
Danger
Hazard Classifications
Acute Tox. 1 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1
Storage Class
3 - Flammable liquids
wgk
WGK 2
flash_point_f
123.8 °F - closed cup
flash_point_c
51.00 °C - closed cup
Regulatory Information
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| 493244-1G | 04061837576096 |



