5-Bromo-4,6-dichloropyrimidine - CAS 68797-61-5
Catalog: |
BB033632 |
Product Name: |
5-Bromo-4,6-dichloropyrimidine |
CAS: |
68797-61-5 |
Synonyms: |
5-bromo-4,6-dichloropyrimidine |
IUPAC Name: | 5-bromo-4,6-dichloropyrimidine |
Description: | 5-Bromo-4,6-dichloropyrimidine (CAS# 68797-61-5) is a useful research chemical. |
Molecular Weight: | 227.87 |
Molecular Formula: | C4HBrCl2N2 |
Canonical SMILES: | C1=NC(=C(C(=N1)Cl)Br)Cl |
InChI: | InChI=1S/C4HBrCl2N2/c5-2-3(6)8-1-9-4(2)7/h1H |
InChI Key: | BKLHHTTZTSYHBV-UHFFFAOYSA-N |
Boiling Point: | 294.6 ℃ at 760 mmHg |
Purity: | 97 % |
Density: | 1.964 g/cm3 |
MDL: | MFCD00047379 |
LogP: | 2.54590 |
GHS Hazard Statement: | H301 (91.11%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020233694-A1 | Crystal form of pyrimidine sulfonamide compound and preparation method therefor | 20190522 |
CN-109232546-A | A kind of medical usage of pyrimidine sulfonyl amine derivant | 20180925 |
WO-2020062912-A1 | Medical application of pyrimidine sulfonamides derivatives | 20180925 |
CN-109232546-B | Medical application of pyrimidine sulfonamide derivative | 20180925 |
EP-3851435-A1 | Medical application of pyrimidine sulfonamides derivatives | 20180925 |
Complexity: | 92.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.87002 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.87002 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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