4,6-Dichloro-5-nitropyrimidine - CAS 4316-93-2
Catalog: |
BB025346 |
Product Name: |
4,6-Dichloro-5-nitropyrimidine |
CAS: |
4316-93-2 |
Synonyms: |
4,6-dichloro-5-nitropyrimidine |
IUPAC Name: | 4,6-dichloro-5-nitropyrimidine |
Description: | 4,6-Dichloro-5-nitropyrimidine (CAS# 4316-93-2) is a compound useful in organic synthesis. |
Molecular Weight: | 193.98 |
Molecular Formula: | C4HCl2N3O2 |
Canonical SMILES: | C1=NC(=C(C(=N1)Cl)[N+](=O)[O-])Cl |
InChI: | InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)4(6)8-1-7-3/h1H |
InChI Key: | HCTISZQLTGAYOX-UHFFFAOYSA-N |
Boiling Point: | 325.8 ℃ at 760 mmHg |
Melting Point: | 100-103 ℃ |
Purity: | 98 % |
Density: | 1.737 g/cm3 |
Appearance: | Yellow crystalline solid |
Storage: | Refrigerator |
MDL: | MFCD00006107 |
LogP: | 2.21480 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112851536-A | Method for constructing amide bond by clicking pyrimidine condensing agent and application of method in amide and polypeptide synthesis | 20210104 |
CN-111732535-A | Photochemical synthesis method of heteroaryl amine compound | 20200810 |
CN-111732535-B | Photochemical synthesis method of heteroaryl amine compound | 20200810 |
WO-2021180107-A1 | Compounds useful as kinase inhibitors | 20200312 |
CN-211885469-U | 24 dichloro 5 nitropyrimidine crystallization equipment | 20200309 |
PMID | Publication Date | Title | Journal |
22064444 | 20111001 | 6-Chloro-N-methyl-5-nitro-N-phenyl-pyrimidin-4-amine | Acta crystallographica. Section E, Structure reports online |
20016836 | 20091216 | Finding of the low molecular weight inhibitors of resuscitation promoting factor enzymatic and resuscitation activity | PloS one |
16440986 | 20060101 | Solid-phase synthesis of 5'-deoxy-5'-amino-clitocine analogues | Nucleosides, nucleotides & nucleic acids |
15530122 | 20041101 | Solution-phase parallel synthesis of an N-alkylated dihydropteridinone library from fluorous amino acids | Journal of combinatorial chemistry |
11429822 | 20010126 | Sequential nucleophilic substitution on halogenated triazines, pyrimidines, and purines: a novel approach to cyclic peptidomimetics | The Journal of organic chemistry |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.9445817 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.9445817 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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