2,4-Dichloro-5-nitropyrimidine - CAS 49845-33-2
Catalog: |
BB026841 |
Product Name: |
2,4-Dichloro-5-nitropyrimidine |
CAS: |
49845-33-2 |
Synonyms: |
2,4-dichloro-5-nitropyrimidine |
IUPAC Name: | 2,4-dichloro-5-nitropyrimidine |
Description: | 2,4-Dichloro-5-nitropyrimidine (CAS# 49845-33-2) is a compound useful in organic synthesis. |
Molecular Weight: | 193.98 |
Molecular Formula: | C4HCl2N3O2 |
Canonical SMILES: | C1=C(C(=NC(=N1)Cl)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H |
InChI Key: | INUSQTPGSHFGHM-UHFFFAOYSA-N |
Boiling Point: | 325.8 °C at 760 mmHg |
Melting Point: | 28-32 °C |
Purity: | 95 % |
Density: | 1.737 g/cm3 |
Appearance: | Yellow solid |
Storage: | Keep under Argon |
MDL: | MFCD00127867 |
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-113087708-A | Pteridinone compound and application thereof | 20210406 |
CN-112939979-A | 2-morpholine purine derivative, preparation method thereof and application thereof in antitumor drugs | 20210206 |
CN-112592318-A | 2- (4-methionyl) anilino-4-aminopyrimidine derivatives and application thereof | 20201212 |
CN-112110863-A | Sulfonyl fluoride compound, preparation method thereof and method for preparing sulfonamide compound through sulfonyl fluoride compound | 20200827 |
CN-111732590-A | 2, 9-disubstituted purine derivative, preparation method thereof and application thereof in antitumor drugs | 20200805 |
PMID | Publication Date | Title | Journal |
17028580 | 20061101 | Probing cell-division phenotype space and Polo-like kinase function using small molecules | Nature chemical biology |
Complexity: | 162 |
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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