T-016

Theobromine solution

100 μg/mL (Acetonitrile:Water (50:50) (v/v)), certified reference material, ampule of 1 mL, Cerilliant^®

• Empirical Formula (Hill Notation): C₇H₈N₄O₂
• CAS Number: 83-67-0
• Molecular Weight: 180.16
• MDL number: MFCD00022830
• UNSPSC Code: 41116107
• NACRES: NA.24

Properties

• grade: certified reference material
• form: liquid
• feature: Snap-N-Spike^®/Snap-N-Shoot^®
• packaging: ampule of 1 mL
• manufacturer/tradename: Cerilliant^®
• concentration: 100 μg/mL (Acetonitrile:Water (50:50) (v/v))
• technique(s): gas chromatography (GC): suitable; liquid chromatography (LC): suitable
• application(s): clinical testing
• format: single component solution
• storage temp.: 2-8°C
• SMILES string: [n]1(c2nc[n](c2[c]([nH][c]1=O)=O)C)C
• InChI: 1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
• InChI key: YAPQBXQYLJRXSA-UHFFFAOYSA-N

Description

Legal Information

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

Snap-N-Shoot is a registered trademark of Cerilliant Corporation

Snap-N-Spike is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H302,H319
• pcodes: P210 - P233 - P240 - P241 - P301 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 42.8 °F
• flash_point_c: 6 °C