4-Chloro-6-ethyl-5-fluoropyrimidine - CAS 137234-74-3
Catalog: |
BB008528 |
Product Name: |
4-Chloro-6-ethyl-5-fluoropyrimidine |
CAS: |
137234-74-3 |
Synonyms: |
4-chloro-6-ethyl-5-fluoropyrimidine; 4-chloro-6-ethyl-5-fluoropyrimidine |
IUPAC Name: | 4-chloro-6-ethyl-5-fluoropyrimidine |
Description: | A pyrimidine derivative used as a building block in the preparation of bio-active compounds such as broad-spectrum triazole antifungal agents. |
Molecular Weight: | 160.58 |
Molecular Formula: | C6H6ClFN2 |
Canonical SMILES: | CCC1=C(C(=NC=N1)Cl)F |
InChI: | InChI=1S/C6H6ClFN2/c1-2-4-5(8)6(7)10-3-9-4/h3H,2H2,1H3 |
InChI Key: | LKTGVRWVTAJGMS-UHFFFAOYSA-N |
Boiling Point: | 211 ℃ |
Purity: | 98 % |
Density: | 1.286 g/cm3 |
Appearance: | Slight yellow liquid |
Storage: | Inert atmosphere, 2-8 ℃ |
MDL: | MFCD07782087 |
LogP: | 1.83150 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111217758-A | Preparation method of 6-ethyl-5-fluoro-4-chloropyrimidine | 20200318 |
WO-2020223715-A1 | Substituted (piperidin-1-yl)aryl analogues for modulating avilactivity | 20190502 |
WO-2020169025-A1 | Method for preparing voriconazole and intermediate thereof | 20190219 |
CN-108059617-B | Impurity of voriconazole starting material 4-chloro-6-ethyl-5-fluoropyrimidine and synthesis method thereof | 20180206 |
CN-108169382-B | Method for detecting impurities in voriconazole starting material 4-chloro-6-ethyl-5-fluoropyrimidine | 20180206 |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.0203541 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.0203541 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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