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603597

Sigma-Aldrich

Phenyl-13C6 isocyanate

99 atom % 13C

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About This Item

Linear Formula:
13C6H5NCO
CAS Number:
286012-94-0
Molecular Weight:
125.08
MDL number:
MFCD01075482
UNSPSC Code:
12352101
PubChem Substance ID:
329758903
NACRES:
NA.12

isotopic purity

99 atom % 13C

Assay

99% (CP)

technique(s)

protein expression: suitable

refractive index

n20/D 1.535

bp

162-163 °C/760 mmHg (lit.)

mp

−30 °C (lit.)

density

1.150 g/mL at 25 °C

mass shift

M+6

storage temp.

−20°C

SMILES string

O=C=N[13c]1[13cH][13cH][13cH][13cH][13cH]1

InChI

1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H/i1+1,2+1,3+1,4+1,5+1,7+1

InChI key

DGTNSSLYPYDJGL-ZXJNGCBISA-N

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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. 2 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)

131.0 °F - closed cup

Flash Point(C)

55 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
CC0410
00750KD
ST0758
EQ1043
QW2646

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