2,5-Dichloropyrimidine - CAS 22536-67-0
Catalog: |
BB017658 |
Product Name: |
2,5-Dichloropyrimidine |
CAS: |
22536-67-0 |
Synonyms: |
2,5-dichloropyrimidine |
IUPAC Name: | 2,5-dichloropyrimidine |
Description: | 2,5-Dichloropyrimidine (CAS# 22536-67-0) is a reactant that has been used in the synthesis of BI 207524, an Indole Diamide NS5B Thumb Pocket 1 Inhibitor for the potential treatment of chronic hepatitis C virus. |
Molecular Weight: | 148.98 |
Molecular Formula: | C4H2Cl2N2 |
Canonical SMILES: | C1=C(C=NC(=N1)Cl)Cl |
InChI: | InChI=1S/C4H2Cl2N2/c5-3-1-7-4(6)8-2-3/h1-2H |
InChI Key: | CEJAHXLRNZJPQH-UHFFFAOYSA-N |
Boiling Point: | 190 °C |
Purity: | 98 % |
Density: | 1.493 g/cm3 |
MDL: | MFCD00673131 |
LogP: | 1.78340 |
GHS Hazard Statement: | H302 (95.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, P391, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
WO-2021173917-A1 | Inhibitors of receptor interacting protein kinase i for the treatment of disease | 20200228 |
CN-113004252-A | Aryl imidazole derivative and application thereof | 20191220 |
WO-2021094416-A1 | 7-pyrimidine-2-yl-oxy-indazole derivatives and their use as herbicides | 20191114 |
Complexity: | 70.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.9595035 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.9595035 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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