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700517

Sigma-Aldrich

4-Nitro-α,α,α-trifluorotoluene-(phenyl-13C6)

99 atom % 13C, 97% (CP)

Synonym(s):

4-Nitrobenzotrifluoride-13C6, (phenyl-13C6)

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About This Item

Empirical Formula (Hill Notation):
C13C6F3H4NO2
Molecular Weight:
197.06
MDL number:
MFCD12546015
UNSPSC Code:
12352102
PubChem Substance ID:
329762207

isotopic purity

99 atom % 13C

assay

97% (CP)

form

solid

mp

38-40  °C

mass shift

M+6

SMILES string

[O-][N+](=O)[13c]1[13cH][13cH][13c]([13cH][13cH]1)C(F)(F)F

InChI

1S/C7H4F3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1

InChI key

XKYLCLMYQDFGKO-IDEBNGHGSA-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.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk_germany

WGK 3

flash_point_f

190.4 °F - closed cup

flash_point_c

88 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
CX0850

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