217735

5-Amino-4,6-dichloropyrimidine

97%

• Empirical Formula (Hill Notation): C₄H₃Cl₂N₃
• CAS Number: 5413-85-4
• Molecular Weight: 163.99
• Beilstein: 126885
• EC Number: 226-503-7
• MDL number: MFCD00006108
• UNSPSC Code: 12352100
• PubChem Substance ID: 24853030
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• form: liquid
• mp: 145-148 °C (lit.)
• solubility: 95% ethanol: soluble 50 mg/mL, clear to slightly hazy, colorless to faintly yellow
• functional group: chloro
• storage temp.: 2-8°C
• SMILES string: Nc1c(Cl)ncnc1Cl
• InChI: 1S/C4H3Cl2N3/c5-3-2(7)4(6)9-1-8-3/h1H,7H2
• InChI key: NIGDWBHWHVHOAD-UHFFFAOYSA-N

Description

Application

5-Amino-4,6-dichloropyrimidine was used in the synthesis of:

• oxepane ring containing monocyclic, conformationally restricted bicyclic and spirocyclic nucleosides
• conformationally locked bicyclo[2.2.1]heptane/oxa-bicyclo[3.2.1]octane nucleosides
• N(7)-substituted purines
• chiral derivatives of (+)-erythro-9-(2-hydroxy-3-nonyl)adenine
• 9-alkyl-6-substituted-purine analogs, potent anticonvulsant agents
• pyrimido-oxazepines in a three-step process with microwave heating at 150°C

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves