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Merck
CN

35382

Secnidazole hemihydrate

VETRANAL®, analytical standard

Synonym(s):

α,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol hemihydrate, (RS)-1-(2-Methyl-5-nitroimidazol-1-yl)-2-propanol hemihydrate

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About This Item

Empirical Formula (Hill Notation):
C7H11N3O3 · 0.5H2O
CAS Number:
227622-73-3
Molecular Weight:
194.19
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329755144
MDL number:
MFCD20264913
Beilstein/REAXYS Number:
8791511

Key Documents

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Product Name

Secnidazole hemihydrate, VETRANAL®, analytical standard

InChI

1S/2C7H11N3O3.H2O/c2*1-5(11)4-9-6(2)8-3-7(9)10(12)13;/h2*3,5,11H,4H2,1-2H3;1H2

SMILES string

O.CC(O)Cn1c(C)ncc1[N+]([O-])=O.CC(O)Cn2c(C)ncc2[N+]([O-])=O

InChI key

LPCFEXQLJSCCMQ-UHFFFAOYSA-N

grade

analytical standard

product line

VETRANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

application(s)

forensics and toxicology
pharmaceutical (small molecule)

format

neat

Quality Level

100

Related Categories

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Legal Information

VETRANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

Health hazard
GHS08

signalword

Warning

hcodes

H361fd

Hazard Classifications

Repr. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN9810
BCCN1714
BCCM7257
BCCH4605
BCCB9867

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