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About This Item
Empirical Formula (Hill Notation):
13C3C13H22ClN3O
CAS Number:
Molecular Weight:
310.80
UNSPSC Code:
77101502
PubChem Substance ID:
NACRES:
NA.24
MDL number:
grade
analytical standard
Quality Segment
isotopic purity
≥99% 13C
product line
PESTANAL®
assay
≥98.0% (HPLC)
shelf life
limited shelf life, expiry date on the label
application(s)
agriculture
environmental
format
neat
SMILES string
Clc1ccc(cc1)CCC(O)(C[n]2ncnc2)C([13CH3])([13CH3])[13CH3]
InChI
1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/i1+1,2+1,3+1
InChI key
PXMNMQRDXWABCY-VMIGTVKRSA-N
Legal Information
PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany
signalword
Warning
hcodes
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 2
flash_point_f
>212.0 °F
flash_point_c
> 100.00 °C
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