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
• 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

Properties

• grade: analytical standard
• Quality Segment: 100
• 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
• SMILES string: O.CC(O)Cn1c(C)ncc1[N+]([O-])=O.CC(O)Cn2c(C)ncc2[N+]([O-])=O
• 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
• InChI key: LPCFEXQLJSCCMQ-UHFFFAOYSA-N

Description

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

Safety Information

• pictograms: GHS08
• signalword: Warning
• hcodes: H361fd
• pcodes: P201 - P202 - P280 - P308 + P313 - P405 - P501
• Hazard Classifications: Repr. 2
• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable