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Merck
CN

493244

Phenyl-d5 isocyanate

98 atom % D

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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
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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.


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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

SKUGTIN
493244-1G04061837576096