45371

Carboxine

PESTANAL^®, analytical standard

• Synonym(s): 5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide, Carbathiine
• Empirical Formula (Hill Notation): C₁₂H₁₃NO₂S
• CAS Number: 5234-68-4
• Molecular Weight: 235.30
• Beilstein: 983249
• EC Number: 226-031-1
• MDL number: MFCD00055403
• UNSPSC Code: 41116107
• PubChem Substance ID: 329756679
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• product line: PESTANAL^®
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• application(s): agriculture; environmental
• format: neat
• SMILES string: CC1=C(SCCO1)C(=O)Nc2ccccc2
• InChI: 1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
• InChI key: GYSSRZJIHXQEHQ-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.

Recommended products

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

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

Safety Information

• Pictograms: GHS08,GHS07,GHS09
• Signal Word: Warning
• Hazard Statements: H302,H317,H373,H410
• Precautionary Statements: P260 - P273 - P280 - P301 + P312 - P302 + P352 - P314
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Skin Sens. 1 - STOT RE 2
• Target Organs: Kidney
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): 212.0 °F - closed cup
• Flash Point(C): 100 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves