4,6-Dichloro-5-nitropyrimidine(CAS: 4316-93-2)

CAS Number
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Basic Information
Molecular Formula
C4HCl2N3O2
Molecular Weight
193.97 g/mol
Physical State
White to Yellow Solid
Physical Properties
Melting Point
100-103 °C (lit.)
Boiling Point
325.8°C at 760 mmHg
Density
1.737
Flash Point
150.8℃
Chemical Identifiers
SMILES
C1=NC(=C(C(=N1)Cl)[N+](=O)[O-])Cl
InChIKey
HCTISZQLTGAYOX-UHFFFAOYSA-N
Database References
MDL Number
MFCD00006107
Beilstein Registry Number
0162029
FAQ
4,6-Dichloro-5-nitropyrimidine is a solid with a crystalline form. Its molecular weight is approximately 230.03 g/mol. It has low water solubility but is soluble in common organic solvents like ethanol and acetone. The compound is known for its high reactivity, particularly towards nucleophilic substitution reactions.
4,6-Dichloro-5-nitropyrimidine can be synthesized via a multi-step process involving the nitration of 5-chloropyrimidine followed by chlorination. Commonly used catalysts include sulfuric acid, and the reaction is carried out in a suitable solvent like acetic acid. The yield is typically around 70-80%, with high selectivity towards the desired product.
4,6-Dichloro-5-nitropyrimidine is used primarily in the pharmaceutical industry for the synthesis of certain drugs. It is also applied in the agricultural sector as a herbicide intermediate. Additionally, it has potential applications in the polymer and semiconductor industries for specific chemical processes.
When handling 4,6-Dichloro-5-nitropyrimidine, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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