2,4-Dichloro-5-fluoropyrimidine - CAS 2927-71-1
Catalog: |
BB020164 |
Product Name: |
2,4-Dichloro-5-fluoropyrimidine |
CAS: |
2927-71-1 |
Synonyms: |
2,4-dichloro-5-fluoropyrimidine |
IUPAC Name: | 2,4-dichloro-5-fluoropyrimidine |
Description: | Used in the synthesis of two glucuronic derivatives of 5-fluorouracil as neoplasm inhibitors. |
Molecular Weight: | 166.97 |
Molecular Formula: | C4HCl2FN2 |
Canonical SMILES: | C1=C(C(=NC(=N1)Cl)Cl)F |
InChI: | InChI=1S/C4HCl2FN2/c5-3-2(7)1-8-4(6)9-3/h1H |
InChI Key: | WHPFEQUEHBULBW-UHFFFAOYSA-N |
Boiling Point: | 80 ℃ / 16 mmHg |
Purity: | 98 % |
MDL: | MFCD00233551 |
LogP: | 1.92250 |
GHS Hazard Statement: | H302 (84.91%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, 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 |
CN-113248500-A | Azaindolopyrimidineamine heterocyclic compounds, and preparation method and application thereof | 20210610 |
CN-113248500-B | Azaindolopyrimidineamine heterocyclic compounds, and preparation method and application thereof | 20210610 |
CN-113264920-A | CDK6 inhibitor of pyrimidine benzo six-membered ring parent nucleus and preparation method and application thereof | 20210510 |
CN-112979647-A | Azaindole derivative containing azaamino acid, preparation and application | 20210312 |
CN-113149978-A | Intermediate compound, preparation method and application thereof | 20210204 |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.9500816 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.9500816 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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