(2-Fluorophenyl)acetone - CAS 2836-82-0
Catalog: |
BB019833 |
Product Name: |
(2-Fluorophenyl)acetone |
CAS: |
2836-82-0 |
Synonyms: |
1-(2-fluorophenyl)propan-2-one |
IUPAC Name: | 1-(2-fluorophenyl)propan-2-one |
Description: | (2-Fluorophenyl)acetone (CAS# 2836-82-0) is used in the synthesis of antimalarial drugs. |
Molecular Weight: | 152.17 |
Molecular Formula: | C9H9FO |
Canonical SMILES: | CC(=O)CC1=CC=CC=C1F |
InChI: | InChI=1S/C9H9FO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3 |
InChI Key: | BANVZEUCJHUPOI-UHFFFAOYSA-N |
Boiling Point: | 47 °C (0.05 torr) |
Purity: | 95 % |
Density: | 1.077 g/cm3 |
Appearance: | Clear light yellow liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00000325 |
LogP: | 1.95720 |
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 |
CN-113150009-A | Heterocyclic compounds with programmed cell necrosis pathway inhibition activity and application thereof | 20200107 |
CN-111004164-A | Preparation method of polysubstituted 2-aryl indole derivative | 20191128 |
CN-111004164-B | Preparation method of polysubstituted 2-aryl indole derivative | 20191128 |
US-2019343838-A1 | Kras g12c inhibitors and methods of using the same | 20180504 |
WO-2019213516-A1 | Kras g12c inhibitors and methods of using the same | 20180504 |
PMID | Publication Date | Title | Journal |
20032865 | 20091127 | Synthesis, structural studies and antitumoral evaluation of C-6 alkyl and alkenyl side chain pyrimidine derivatives | Molecules (Basel, Switzerland) |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.063743068 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.063743068 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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