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Key Documents

493244

Sigma-Aldrich

Phenyl-d5 isocyanate

98 atom % D

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About This Item

Linear Formula:
C6D5NCO
CAS Number:
Molecular Weight:
124.15
MDL number:
UNSPSC Code:
12352116
PubChem Substance ID:
NACRES:
NA.12

isotopic purity

98 atom % D

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

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.

Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

123.8 °F - closed cup

Flash Point(C)

51.00 °C - closed cup


Certificates of Analysis (COA)

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