5-Bromo-2,4,6-trichloropyrimidine - CAS 63931-21-5
Catalog: |
BB032328 |
Product Name: |
5-Bromo-2,4,6-trichloropyrimidine |
CAS: |
63931-21-5 |
Synonyms: |
5-bromo-2,4,6-trichloropyrimidine; 5-bromo-2,4,6-trichloropyrimidine |
IUPAC Name: | 5-bromo-2,4,6-trichloropyrimidine |
Description: | 5-Bromo-2,4,6-trichloropyrimidine (CAS# 63931-21-5) is used in preparation of Pyrimidine derivatives as Aβ42 inhibitor. |
Molecular Weight: | 262.32 |
Molecular Formula: | C4BrCl3N2 |
Canonical SMILES: | C1(=C(N=C(N=C1Cl)Cl)Cl)Br |
InChI: | InChI=1S/C4BrCl3N2/c5-1-2(6)9-4(8)10-3(1)7 |
InChI Key: | GKTWIIVEUYLSCS-UHFFFAOYSA-N |
Boiling Point: | 286.602 °C at 760 mmHg |
Density: | 2.051 g/cm3 |
LogP: | 3.19930 |
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 |
WO-2019101984-A1 | Pyrimidine derivatives | 20171127 |
CN-111315739-A | Pyrimidine derivatives | 20171127 |
EP-3717472-A1 | Pyrimidine derivatives | 20171127 |
US-2020291032-A1 | Pyrimidine derivatives | 20171127 |
EP-3484884-A1 | Fused pyrimidine derivatives | 20160714 |
Complexity: | 113 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.83104 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.83104 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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